3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole

C14H16ClN3 — CID 55182936

IUPAC3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole
SMILESCC(C)c1cccc(-n2c(Cl)nnc2C2CC2)c1
InChIInChI=1S/C14H16ClN3/c1-9(2)11-4-3-5-12(8-11)18-13(10-6-7-10)16-17-14(18)15/h3-5,8-10H,6-7H2,1-2H3
InChIKeyWJLSFGWOZACIKI-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.92
Rot. Bonds3

About 3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole

3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole (PubChem CID 55182936) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole
PubChem CID55182936
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole
SMILESCC(C)c1cccc(-n2c(Cl)nnc2C2CC2)c1
InChIInChI=1S/C14H16ClN3/c1-9(2)11-4-3-5-12(8-11)18-13(10-6-7-10)16-17-14(18)15/h3-5,8-10H,6-7H2,1-2H3
InChIKeyWJLSFGWOZACIKI-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-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 3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole (CID 55182936) is 3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole is CC(C)c1cccc(-n2c(Cl)nnc2C2CC2)c1.
What is the InChIKey of 3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole?
The InChIKey is WJLSFGWOZACIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9(2)11-4-3-5-12(8-11)18-13(10-6-7-10)16-17-14(18)15/h3-5,8-10H,6-7H2,1-2H3.
What are the key properties of 3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole?
3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole has a molecular weight of 261.76 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyclopropyl-4-(3-propan-2-ylphenyl)-1,2,4-triazole is sourced from PubChem (CID 55182936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).