1,4-dimethyltriazole

C4H7N3 — CID 15257142

IUPAC1,4-dimethyltriazole
SMILESCc1cn(C)nn1
InChIInChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3
InChIKeyOJAWOLWHEQUTDE-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.12
Rot. Bonds

About 1,4-dimethyltriazole

1,4-dimethyltriazole (PubChem CID 15257142) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 1,4-dimethyltriazole.

Molecular Properties

Compound Name1,4-dimethyltriazole
PubChem CID15257142
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name1,4-dimethyltriazole
SMILESCc1cn(C)nn1
InChIInChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3
InChIKeyOJAWOLWHEQUTDE-UHFFFAOYSA-N
XLogP0.12
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,4-dimethyltriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyltriazole?
The IUPAC name of 1,4-dimethyltriazole (CID 15257142) is 1,4-dimethyltriazole.
What is the SMILES notation for 1,4-dimethyltriazole?
The canonical SMILES for 1,4-dimethyltriazole is Cc1cn(C)nn1.
What is the InChIKey of 1,4-dimethyltriazole?
The InChIKey is OJAWOLWHEQUTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-4-3-7(2)6-5-4/h3H,1-2H3.
What are the key properties of 1,4-dimethyltriazole?
1,4-dimethyltriazole has a molecular weight of 97.12 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyltriazole is sourced from PubChem (CID 15257142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).