4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine

C23H19N7 — CID 50968173

IUPAC4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
SMILESCc1cccc(-n2nc(-c3ccccc3)nc2-c2ccnc(-n3cnnc3)c2)c1C
InChIInChI=1S/C23H19N7/c1-16-7-6-10-20(17(16)2)30-23(27-22(28-30)18-8-4-3-5-9-18)19-11-12-24-21(13-19)29-14-25-26-15-29/h3-15H,1-2H3
InChIKeyYHLNLVHKNCDVEI-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.19
Rot. Bonds4

About 4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine

4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine (PubChem CID 50968173) has the molecular formula C23H19N7 and a molecular weight of 393.45 g/mol. Its IUPAC name is 4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine.

Molecular Properties

Compound Name4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
PubChem CID50968173
Molecular FormulaC23H19N7
Molecular Weight393.45 g/mol
Exact Mass393.17
IUPAC Name4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine
SMILESCc1cccc(-n2nc(-c3ccccc3)nc2-c2ccnc(-n3cnnc3)c2)c1C
InChIInChI=1S/C23H19N7/c1-16-7-6-10-20(17(16)2)30-23(27-22(28-30)18-8-4-3-5-9-18)19-11-12-24-21(13-19)29-14-25-26-15-29/h3-15H,1-2H3
InChIKeyYHLNLVHKNCDVEI-UHFFFAOYSA-N
XLogP4.19
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine 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 4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine?
The IUPAC name of 4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine (CID 50968173) is 4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine.
What is the SMILES notation for 4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine?
The canonical SMILES for 4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine is Cc1cccc(-n2nc(-c3ccccc3)nc2-c2ccnc(-n3cnnc3)c2)c1C.
What is the InChIKey of 4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine?
The InChIKey is YHLNLVHKNCDVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7/c1-16-7-6-10-20(17(16)2)30-23(27-22(28-30)18-8-4-3-5-9-18)19-11-12-24-21(13-19)29-14-25-26-15-29/h3-15H,1-2H3.
What are the key properties of 4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine?
4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine has a molecular weight of 393.45 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-2-(1,2,4-triazol-4-yl)pyridine is sourced from PubChem (CID 50968173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).