1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole

C14H16ClN3 — CID 131889464

IUPAC1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole
SMILESCc1nc(C2(C)CC2)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3/c1-10-16-13(14(2)7-8-14)18(17-10)9-11-5-3-4-6-12(11)15/h3-6H,7-9H2,1-2H3
InChIKeyACFUTBUNQVWNRH-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.34
Rot. Bonds3

About 1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole

1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole (PubChem CID 131889464) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole
PubChem CID131889464
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole
SMILESCc1nc(C2(C)CC2)n(Cc2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3/c1-10-16-13(14(2)7-8-14)18(17-10)9-11-5-3-4-6-12(11)15/h3-6H,7-9H2,1-2H3
InChIKeyACFUTBUNQVWNRH-UHFFFAOYSA-N
XLogP3.34
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-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 1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole (CID 131889464) is 1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole is Cc1nc(C2(C)CC2)n(Cc2ccccc2Cl)n1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole?
The InChIKey is ACFUTBUNQVWNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-16-13(14(2)7-8-14)18(17-10)9-11-5-3-4-6-12(11)15/h3-6H,7-9H2,1-2H3.
What are the key properties of 1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole?
1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole has a molecular weight of 261.76 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-3-methyl-5-(1-methylcyclopropyl)-1,2,4-triazole is sourced from PubChem (CID 131889464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).