4-(4-chlorophenyl)-2-methyltriazole

C9H8ClN3 — CID 11298486

IUPAC4-(4-chlorophenyl)-2-methyltriazole
SMILESCn1ncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C9H8ClN3/c1-13-11-6-9(12-13)7-2-4-8(10)5-3-7/h2-6H,1H3
InChIKeyMWWIKPRVPNNZJZ-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.14
Rot. Bonds1

About 4-(4-chlorophenyl)-2-methyltriazole

4-(4-chlorophenyl)-2-methyltriazole (PubChem CID 11298486) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-methyltriazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-methyltriazole
PubChem CID11298486
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name4-(4-chlorophenyl)-2-methyltriazole
SMILESCn1ncc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C9H8ClN3/c1-13-11-6-9(12-13)7-2-4-8(10)5-3-7/h2-6H,1H3
InChIKeyMWWIKPRVPNNZJZ-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 4-(4-chlorophenyl)-2-methyltriazole 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 4-(4-chlorophenyl)-2-methyltriazole?
The IUPAC name of 4-(4-chlorophenyl)-2-methyltriazole (CID 11298486) is 4-(4-chlorophenyl)-2-methyltriazole.
What is the SMILES notation for 4-(4-chlorophenyl)-2-methyltriazole?
The canonical SMILES for 4-(4-chlorophenyl)-2-methyltriazole is Cn1ncc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-2-methyltriazole?
The InChIKey is MWWIKPRVPNNZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c1-13-11-6-9(12-13)7-2-4-8(10)5-3-7/h2-6H,1H3.
What are the key properties of 4-(4-chlorophenyl)-2-methyltriazole?
4-(4-chlorophenyl)-2-methyltriazole 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 4-(4-chlorophenyl)-2-methyltriazole is sourced from PubChem (CID 11298486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).