1-phenyl-4-(1-phenyltriazol-4-yl)triazole

C16H12N6 — CID 773822

IUPAC1-phenyl-4-(1-phenyltriazol-4-yl)triazole
SMILESc1ccc(-n2cc(-c3cn(-c4ccccc4)nn3)nn2)cc1
InChIInChI=1S/C16H12N6/c1-3-7-13(8-4-1)21-11-15(17-19-21)16-12-22(20-18-16)14-9-5-2-6-10-14/h1-12H
InChIKeyVKAMFIZHQYDNSZ-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.52
Rot. Bonds3

About 1-phenyl-4-(1-phenyltriazol-4-yl)triazole

1-phenyl-4-(1-phenyltriazol-4-yl)triazole (PubChem CID 773822) has the molecular formula C16H12N6 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-phenyl-4-(1-phenyltriazol-4-yl)triazole.

Molecular Properties

Compound Name1-phenyl-4-(1-phenyltriazol-4-yl)triazole
PubChem CID773822
Molecular FormulaC16H12N6
Molecular Weight288.31 g/mol
Exact Mass288.11
IUPAC Name1-phenyl-4-(1-phenyltriazol-4-yl)triazole
SMILESc1ccc(-n2cc(-c3cn(-c4ccccc4)nn3)nn2)cc1
InChIInChI=1S/C16H12N6/c1-3-7-13(8-4-1)21-11-15(17-19-21)16-12-22(20-18-16)14-9-5-2-6-10-14/h1-12H
InChIKeyVKAMFIZHQYDNSZ-UHFFFAOYSA-N
XLogP2.52
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-phenyl-4-(1-phenyltriazol-4-yl)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-phenyl-4-(1-phenyltriazol-4-yl)triazole?
The IUPAC name of 1-phenyl-4-(1-phenyltriazol-4-yl)triazole (CID 773822) is 1-phenyl-4-(1-phenyltriazol-4-yl)triazole.
What is the SMILES notation for 1-phenyl-4-(1-phenyltriazol-4-yl)triazole?
The canonical SMILES for 1-phenyl-4-(1-phenyltriazol-4-yl)triazole is c1ccc(-n2cc(-c3cn(-c4ccccc4)nn3)nn2)cc1.
What is the InChIKey of 1-phenyl-4-(1-phenyltriazol-4-yl)triazole?
The InChIKey is VKAMFIZHQYDNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6/c1-3-7-13(8-4-1)21-11-15(17-19-21)16-12-22(20-18-16)14-9-5-2-6-10-14/h1-12H.
What are the key properties of 1-phenyl-4-(1-phenyltriazol-4-yl)triazole?
1-phenyl-4-(1-phenyltriazol-4-yl)triazole has a molecular weight of 288.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1-phenyltriazol-4-yl)triazole is sourced from PubChem (CID 773822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).