3,5-dimethyl-3H-1,2,4-triazole

C4H7N3 — CID 23568356

IUPAC3,5-dimethyl-3H-1,2,4-triazole
SMILESCC1=NC(C)N=N1
InChIInChI=1S/C4H7N3/c1-3-5-4(2)7-6-3/h3H,1-2H3
InChIKeyNCWUANUREYGDMW-UHFFFAOYSA-N
MW97.12 g/mol
LogP1.22
Rot. Bonds

About 3,5-dimethyl-3H-1,2,4-triazole

3,5-dimethyl-3H-1,2,4-triazole (PubChem CID 23568356) has the molecular formula C4H7N3 and a molecular weight of 97.12 g/mol. Its IUPAC name is 3,5-dimethyl-3H-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dimethyl-3H-1,2,4-triazole
PubChem CID23568356
Molecular FormulaC4H7N3
Molecular Weight97.12 g/mol
Exact Mass97.06
IUPAC Name3,5-dimethyl-3H-1,2,4-triazole
SMILESCC1=NC(C)N=N1
InChIInChI=1S/C4H7N3/c1-3-5-4(2)7-6-3/h3H,1-2H3
InChIKeyNCWUANUREYGDMW-UHFFFAOYSA-N
XLogP1.22
TPSA37.08 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 ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-3H-1,2,4-triazole 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 3,5-dimethyl-3H-1,2,4-triazole?
The IUPAC name of 3,5-dimethyl-3H-1,2,4-triazole (CID 23568356) is 3,5-dimethyl-3H-1,2,4-triazole.
What is the SMILES notation for 3,5-dimethyl-3H-1,2,4-triazole?
The canonical SMILES for 3,5-dimethyl-3H-1,2,4-triazole is CC1=NC(C)N=N1.
What is the InChIKey of 3,5-dimethyl-3H-1,2,4-triazole?
The InChIKey is NCWUANUREYGDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3/c1-3-5-4(2)7-6-3/h3H,1-2H3.
What are the key properties of 3,5-dimethyl-3H-1,2,4-triazole?
3,5-dimethyl-3H-1,2,4-triazole has a molecular weight of 97.12 g/mol, XLogP of 1.22, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-3H-1,2,4-triazole is sourced from PubChem (CID 23568356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).