3-(3-chlorophenyl)-4-methyl-1,2,4-triazole

C9H8ClN3 — CID 79002375

IUPAC3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1-c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3/c1-13-6-11-12-9(13)7-3-2-4-8(10)5-7/h2-6H,1H3
InChIKeyZEVCFKAPLIQXLW-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.14
Rot. Bonds1

About 3-(3-chlorophenyl)-4-methyl-1,2,4-triazole

3-(3-chlorophenyl)-4-methyl-1,2,4-triazole (PubChem CID 79002375) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
PubChem CID79002375
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
SMILESCn1cnnc1-c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3/c1-13-6-11-12-9(13)7-3-2-4-8(10)5-7/h2-6H,1H3
InChIKeyZEVCFKAPLIQXLW-UHFFFAOYSA-N
XLogP2.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3-chlorophenyl)-4-methyl-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

Related Compounds

3-(3,4-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 115395215
3-(3-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395591
2-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 63794610
4-chloro-N-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
CID 43070910
(4-chlorophenyl)sulfonyl-[3-(4-methyl-1,2,4-triazol-3-yl)phenyl]azanide
CID 4255931
N-tert-butyl-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 58709894
2-(3-chlorophenyl)-1-methylimidazole
CID 57277272
N-(3-methylbutan-2-yl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 43738672
N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 61326180
3,5-bis(3-chlorophenyl)-1,2,4-triazol-4-amine
CID 15499603
2-[3-(4-methyl-1,2,4-triazol-3-yl)phenoxy]ethanamine
CID 82472180
4-chloro-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62693888

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-methyl-1,2,4-triazole?
The IUPAC name of 3-(3-chlorophenyl)-4-methyl-1,2,4-triazole (CID 79002375) is 3-(3-chlorophenyl)-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-(3-chlorophenyl)-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-(3-chlorophenyl)-4-methyl-1,2,4-triazole is Cn1cnnc1-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-4-methyl-1,2,4-triazole?
The InChIKey is ZEVCFKAPLIQXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c1-13-6-11-12-9(13)7-3-2-4-8(10)5-7/h2-6H,1H3.
What are the key properties of 3-(3-chlorophenyl)-4-methyl-1,2,4-triazole?
3-(3-chlorophenyl)-4-methyl-1,2,4-triazole has a molecular weight of 193.64 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-methyl-1,2,4-triazole is sourced from PubChem (CID 79002375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).