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

C17H15N7 — CID 50962004

IUPAC2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine
SMILESCc1nc(Cc2nc(-c3ccccc3)n[nH]2)n(-c2ccccn2)n1
InChIInChI=1S/C17H15N7/c1-12-19-16(24(23-12)15-9-5-6-10-18-15)11-14-20-17(22-21-14)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyUVYGZLMQQACXPA-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.35
Rot. Bonds4

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

2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine (PubChem CID 50962004) has the molecular formula C17H15N7 and a molecular weight of 317.36 g/mol. Its IUPAC name is 2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine
PubChem CID50962004
Molecular FormulaC17H15N7
Molecular Weight317.36 g/mol
Exact Mass317.14
IUPAC Name2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine
SMILESCc1nc(Cc2nc(-c3ccccc3)n[nH]2)n(-c2ccccn2)n1
InChIInChI=1S/C17H15N7/c1-12-19-16(24(23-12)15-9-5-6-10-18-15)11-14-20-17(22-21-14)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,21,22)
InChIKeyUVYGZLMQQACXPA-UHFFFAOYSA-N
XLogP2.35
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-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

Related Compounds

2-[5-(chloromethyl)-3-phenyl-1,2,4-triazol-1-yl]pyridine
CID 86677493
5-[(3,4-dimethylphenyl)methyl]-3-phenyl-1H-1,2,4-triazole
CID 62539638
3-phenyl-5-(1,2,4-triazol-4-ylmethyl)-1H-1,2,4-triazole
CID 50960134
5-[(2-chlorophenyl)methyl]-3-phenyl-1H-1,2,4-triazole
CID 61354179
5-benzyl-3-(4-chlorophenyl)-1H-1,2,4-triazole
CID 912792
4-(5-benzyl-1H-1,2,4-triazol-3-yl)phenol
CID 918324
(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine;hydrobromide
CID 146014408
ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 143481678
5-[2-(4-methylphenyl)ethyl]-3-phenyl-1H-1,2,4-triazole
CID 62504307
4-(5-methyl-2-pyridin-2-yl-1,2,4-triazol-3-yl)-N-(pyridin-4-ylmethyl)aniline
CID 56879242
3-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2-benzoxazole
CID 46990735
3-(5-benzyl-1H-1,2,4-triazol-3-yl)aniline
CID 82568454

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine?
The IUPAC name of 2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine (CID 50962004) is 2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine.
What is the SMILES notation for 2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine?
The canonical SMILES for 2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine is Cc1nc(Cc2nc(-c3ccccc3)n[nH]2)n(-c2ccccn2)n1.
What is the InChIKey of 2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine?
The InChIKey is UVYGZLMQQACXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7/c1-12-19-16(24(23-12)15-9-5-6-10-18-15)11-14-20-17(22-21-14)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,20,21,22).
What are the key properties of 2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine?
2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine has a molecular weight of 317.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-[(3-phenyl-1H-1,2,4-triazol-5-yl)methyl]-1,2,4-triazol-1-yl]pyridine is sourced from PubChem (CID 50962004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).