3-cyclopropyl-4-phenyl-1,2,4-triazole

C11H11N3 — CID 115393482

IUPAC3-cyclopropyl-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2C2CC2)cc1
InChIInChI=1S/C11H11N3/c1-2-4-10(5-3-1)14-8-12-13-11(14)9-6-7-9/h1-5,8-9H,6-7H2
InChIKeyZWXFRSZZZMRONH-UHFFFAOYSA-N
MW185.23 g/mol
LogP2.14
Rot. Bonds2

About 3-cyclopropyl-4-phenyl-1,2,4-triazole

3-cyclopropyl-4-phenyl-1,2,4-triazole (PubChem CID 115393482) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-cyclopropyl-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-cyclopropyl-4-phenyl-1,2,4-triazole
PubChem CID115393482
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3-cyclopropyl-4-phenyl-1,2,4-triazole
SMILESc1ccc(-n2cnnc2C2CC2)cc1
InChIInChI=1S/C11H11N3/c1-2-4-10(5-3-1)14-8-12-13-11(14)9-6-7-9/h1-5,8-9H,6-7H2
InChIKeyZWXFRSZZZMRONH-UHFFFAOYSA-N
XLogP2.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-cyclopropyl-4-phenyl-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-cyclopropyl-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-cyclopropyl-4-phenyl-1,2,4-triazole (CID 115393482) is 3-cyclopropyl-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-cyclopropyl-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-cyclopropyl-4-phenyl-1,2,4-triazole is c1ccc(-n2cnnc2C2CC2)cc1.
What is the InChIKey of 3-cyclopropyl-4-phenyl-1,2,4-triazole?
The InChIKey is ZWXFRSZZZMRONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c1-2-4-10(5-3-1)14-8-12-13-11(14)9-6-7-9/h1-5,8-9H,6-7H2.
What are the key properties of 3-cyclopropyl-4-phenyl-1,2,4-triazole?
3-cyclopropyl-4-phenyl-1,2,4-triazole has a molecular weight of 185.23 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).