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CAS 1172057-73-6 3-Bromo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine HCl molecular structure lightbox
CAS RN: 1172057-73-6

3-Bromo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine HCl

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250404 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: SSC-017081
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1172057-73-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1172057-73-6 / 3-bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride

3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride | 3-Bromo-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrazine hydrochloride | RefChem:498747

Standard CAS: 1172057-73-6 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1172057-73-6
Multi CAS
No
Molecular Formula
C5H8BrClN4
Molecular Weight
239.500000
Exact Mass
237.962090
SMILES
C1CN2C(=NN=C2Br)CN1.Cl
InChI
InChI=1S/C5H7BrN4.ClH/c6-5-9-8-4-3-7-1-2-10(4)5;/h7H,1-3H2;1H
InChIKey
FUJPMJNDLCTNEF-UHFFFAOYSA-N
Synonyms
3-Bromo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride 3-Bromo-5,6,7,8-tetrahydro-(1,2,4)triazolo(4,3-a)pyrazine hydrochloride RefChem:498747 814-393-9 3-Bromo-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.6
H-bond acceptors
4
H-bond donors
1
Molar refractivity
46.68
TPSA
42.74

LogP / Solubility

WLOGP
0.57
MLOGP
0.5
XLogP3
0.57
Consensus LogP
0.55
Log S (ESOL)
-2.02
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.93
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.78

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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