3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole

C9H7Cl2N3 — CID 63385020

IUPAC3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole
SMILESCc1ccc(-n2cnnc2Cl)cc1Cl
InChIInChI=1S/C9H7Cl2N3/c1-6-2-3-7(4-8(6)10)14-5-12-13-9(14)11/h2-5H,1H3
InChIKeyGCQMGPNQRVZXJO-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.88
Rot. Bonds1

About 3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole

3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole (PubChem CID 63385020) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole
PubChem CID63385020
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole
SMILESCc1ccc(-n2cnnc2Cl)cc1Cl
InChIInChI=1S/C9H7Cl2N3/c1-6-2-3-7(4-8(6)10)14-5-12-13-9(14)11/h2-5H,1H3
InChIKeyGCQMGPNQRVZXJO-UHFFFAOYSA-N
XLogP2.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-4-(3-chloro-4-methylphenyl)-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

1-(3-Chloro-4-methyl-phenyl)-1H-tetrazole
CID 781449
1-(3-Chloro-4-methylphenyl)-3-(1,2,4-triazol-4-yl)urea
CID 17278361
4-[2,4-Dichloro-3-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 146424929
1-(4-Methylphenyl)-1,2,4-triazole
CID 9989504
4-(4-Methylphenyl)-1,2,4-triazole
CID 2322491
3-(2-Chloro-benzylsulfanyl)-4-phenyl-4H-[1,2,4]triazole
CID 672557
4-[4-(Trifluoromethyl)phenyl]-1,2,4-triazole
CID 46901293
2-chloro-6-(1H-1,2,4-triazol-1-yl)benzenecarbonitrile
CID 3328680
4-(3,4-Dichlorophenyl)-1,2,4-triazole
CID 12888423
4-(2'-chloro-4'-fluorobiphenyl-3-yl)-4H-1,2,4-triazole
CID 56707822
1-[5-Chloro-2-methyl-4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 57906405
1-[2-Chloro-4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 117772233

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole (CID 63385020) is 3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole is Cc1ccc(-n2cnnc2Cl)cc1Cl.
What is the InChIKey of 3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole?
The InChIKey is GCQMGPNQRVZXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c1-6-2-3-7(4-8(6)10)14-5-12-13-9(14)11/h2-5H,1H3.
What are the key properties of 3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole?
3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole has a molecular weight of 228.08 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-chloro-4-methylphenyl)-1,2,4-triazole is sourced from PubChem (CID 63385020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).