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CAS 1212823-28-3 (1S)-1-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLETHANAMINE molecular structure lightbox
CAS RN: 1212823-28-3

(1S)-1-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3-YLETHANAMINE

  • Product code: SSC-023088
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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 1212823-28-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1212823-28-3 / (1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

(1S)-1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine | (1S)-1-((1,2,4)triazolo(4,3-a)pyridin-3-yl)ethan-1-amine | RefChem:393596

Standard CAS: 1212823-28-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1212823-28-3
Multi CAS
Yes
Molecular Formula
C8H10N4
Molecular Weight
162.190000
Exact Mass
162.090546
SMILES
C[C@@H](C1=NN=C2N1C=CC=C2)N
InChI
InChI=1S/C8H10N4/c1-6(9)8-11-10-7-4-2-3-5-12(7)8/h2-6H,9H2,1H3/t6-/m0/s1
InChIKey
FQWYAIRHWCMQNP-LURJTMIESA-N
Synonyms
(1S)-1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethan-1-amine (1S)-1-((1,2,4)triazolo(4,3-a)pyridin-3-yl)ethan-1-amine RefChem:393596 893-885-5 (1S)-1-[1,2,4]triazolo[4,3-a]pyridin-3-ylethanamine

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
45.59
TPSA
56.21

LogP / Solubility

WLOGP
0.75
MLOGP
0.65
XLogP3
0.5
Consensus LogP
0.63
Log S (ESOL)
-1.81
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.46
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)
-3.18

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

Safety & Transport

Pictogram(s)
Corrosive Irritant
Signal
Danger
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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