3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine

C10H12N4 — CID 18726622

IUPAC3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine
SMILESCc1ncccc1-c1nnc(C)n1C
InChIInChI=1S/C10H12N4/c1-7-9(5-4-6-11-7)10-13-12-8(2)14(10)3/h4-6H,1-3H3
InChIKeyIEPIVNAHSMDHQZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.49
Rot. Bonds1

About 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine

3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine (PubChem CID 18726622) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine
PubChem CID18726622
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine
SMILESCc1ncccc1-c1nnc(C)n1C
InChIInChI=1S/C10H12N4/c1-7-9(5-4-6-11-7)10-13-12-8(2)14(10)3/h4-6H,1-3H3
InChIKeyIEPIVNAHSMDHQZ-UHFFFAOYSA-N
XLogP1.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine 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-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine?
The IUPAC name of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine (CID 18726622) is 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine.
What is the SMILES notation for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine?
The canonical SMILES for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine is Cc1ncccc1-c1nnc(C)n1C.
What is the InChIKey of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine?
The InChIKey is IEPIVNAHSMDHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-7-9(5-4-6-11-7)10-13-12-8(2)14(10)3/h4-6H,1-3H3.
What are the key properties of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine?
3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine has a molecular weight of 188.23 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)-2-methylpyridine is sourced from PubChem (CID 18726622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).