[email protected]
CAS 1142927-05-6 1-METHYL-1H-1,2,4-TRIAZOLE-3-CARBONITRILE molecular structure lightbox
CAS RN: 1142927-05-6

1-METHYL-1H-1,2,4-TRIAZOLE-3-CARBONITRILE

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20250515 100mg Out of stock Inquiry
Batchno.20260206 1g Out of stock Inquiry
Batchno.20250328 250mg Out of stock Inquiry
  • Product code: starshine_CAS1142927-05-6
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1142927-05-6 / 1-methyl-1,2,4-triazole-3-carbonitrile

1-methyl-1H-1,2,4-triazole-3-carbonitrile | RefChem:433797 | 824-127-3

Standard CAS: 1142927-05-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1142927-05-6
Multi CAS
Yes
Molecular Formula
C4H4N4
Molecular Weight
108.100000
Exact Mass
108.043596
SMILES
CN1C=NC(=N1)C#N
InChI
InChI=1S/C4H4N4/c1-8-3-6-4(2-5)7-8/h3H,1H3
InChIKey
FLGDSZZTEJTGJH-UHFFFAOYSA-N
Synonyms
1-methyl-1H-1,2,4-triazole-3-carbonitrile RefChem:433797 824-127-3 1-methyl-1,2,4-triazole-3-carbonitrile MFCD17241674

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
Fraction Csp3
0.25
H-bond acceptors
4
Molar refractivity
25.72
TPSA
54.5

LogP / Solubility

WLOGP
-0.31
MLOGP
-0.29
XLogP3
0.1
Consensus LogP
-0.17
Log S (ESOL)
-0.78
Class (ESOL)
Very soluble
Log S (Ali)
-0.22
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.1
Class (SILICOS-IT)
Very 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)
-3.6

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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal] 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]
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

Customers Also Viewed

Get In Touch

Contact Us