1-(2-iodophenyl)-5-(4-methylphenyl)triazole

C15H12IN3 — CID 146163953

IUPAC1-(2-iodophenyl)-5-(4-methylphenyl)triazole
SMILESCc1ccc(-c2cnnn2-c2ccccc2I)cc1
InChIInChI=1S/C15H12IN3/c1-11-6-8-12(9-7-11)15-10-17-18-19(15)14-5-3-2-4-13(14)16/h2-10H,1H3
InChIKeyAKHRSUDMQKFCGP-UHFFFAOYSA-N
MW361.19 g/mol
LogP3.85
Rot. Bonds2

About 1-(2-iodophenyl)-5-(4-methylphenyl)triazole

1-(2-iodophenyl)-5-(4-methylphenyl)triazole (PubChem CID 146163953) has the molecular formula C15H12IN3 and a molecular weight of 361.19 g/mol. Its IUPAC name is 1-(2-iodophenyl)-5-(4-methylphenyl)triazole.

Molecular Properties

Compound Name1-(2-iodophenyl)-5-(4-methylphenyl)triazole
PubChem CID146163953
Molecular FormulaC15H12IN3
Molecular Weight361.19 g/mol
Exact Mass361.01
IUPAC Name1-(2-iodophenyl)-5-(4-methylphenyl)triazole
SMILESCc1ccc(-c2cnnn2-c2ccccc2I)cc1
InChIInChI=1S/C15H12IN3/c1-11-6-8-12(9-7-11)15-10-17-18-19(15)14-5-3-2-4-13(14)16/h2-10H,1H3
InChIKeyAKHRSUDMQKFCGP-UHFFFAOYSA-N
XLogP3.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.19
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 1-(2-iodophenyl)-5-(4-methylphenyl)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-iodophenyl)-5-(4-methylphenyl)triazole?
The IUPAC name of 1-(2-iodophenyl)-5-(4-methylphenyl)triazole (CID 146163953) is 1-(2-iodophenyl)-5-(4-methylphenyl)triazole.
What is the SMILES notation for 1-(2-iodophenyl)-5-(4-methylphenyl)triazole?
The canonical SMILES for 1-(2-iodophenyl)-5-(4-methylphenyl)triazole is Cc1ccc(-c2cnnn2-c2ccccc2I)cc1.
What is the InChIKey of 1-(2-iodophenyl)-5-(4-methylphenyl)triazole?
The InChIKey is AKHRSUDMQKFCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3/c1-11-6-8-12(9-7-11)15-10-17-18-19(15)14-5-3-2-4-13(14)16/h2-10H,1H3.
What are the key properties of 1-(2-iodophenyl)-5-(4-methylphenyl)triazole?
1-(2-iodophenyl)-5-(4-methylphenyl)triazole has a molecular weight of 361.19 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)-5-(4-methylphenyl)triazole is sourced from PubChem (CID 146163953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).