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CAS 1211390-33-8 3-cyclopropyl-1H-1,2,4-triazole(SALTDATA: FREE) molecular structure lightbox
CAS RN: 1211390-33-8

3-cyclopropyl-1H-1,2,4-triazole(SALTDATA: FREE)

  • Product code: SSC-022501
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1211390-33-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Beijing Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Hong Kong Inquiry
5g >95% 1 In Stock Beijing Inquiry

1211390-33-8 / 5-cyclopropyl-1H-1,2,4-triazole

3-CYCLOPROPYL-1H-1,2,4-TRIAZOLE | RefChem:500936 | 834-661-9

Standard CAS: 1211390-33-8 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1211390-33-8
Multi CAS
Yes
Molecular Formula
C5H7N3
Molecular Weight
109.130000
Exact Mass
109.063997
SMILES
C1CC1C2=NC=NN2
InChI
InChI=1S/C5H7N3/c1-2-4(1)5-6-3-7-8-5/h3-4H,1-2H2,(H,6,7,8)
InChIKey
KTIRQJGWLMORDV-UHFFFAOYSA-N
Synonyms
3-CYCLOPROPYL-1H-1,2,4-TRIAZOLE RefChem:500936 834-661-9 5-cyclopropyl-1H-1,2,4-triazole MFCD13188610

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
28.36
TPSA
41.57

LogP / Solubility

WLOGP
0.68
MLOGP
0.59
XLogP3
0.6
Consensus LogP
0.62
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-0.95
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.06
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)
-2.9

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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