2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine

C22H20N4O — CID 134806477

IUPAC2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine
SMILESCOc1ccccc1-c1ccnc(-c2nnc(C)n2Cc2ccccc2)c1
InChIInChI=1S/C22H20N4O/c1-16-24-25-22(26(16)15-17-8-4-3-5-9-17)20-14-18(12-13-23-20)19-10-6-7-11-21(19)27-2/h3-14H,15H2,1-2H3
InChIKeyRDCIAUMQSCZWIO-UHFFFAOYSA-N
MW356.43 g/mol
LogP4.37
Rot. Bonds5

About 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine

2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine (PubChem CID 134806477) has the molecular formula C22H20N4O and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine.

Molecular Properties

Compound Name2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine
PubChem CID134806477
Molecular FormulaC22H20N4O
Molecular Weight356.43 g/mol
Exact Mass356.16
IUPAC Name2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine
SMILESCOc1ccccc1-c1ccnc(-c2nnc(C)n2Cc2ccccc2)c1
InChIInChI=1S/C22H20N4O/c1-16-24-25-22(26(16)15-17-8-4-3-5-9-17)20-14-18(12-13-23-20)19-10-6-7-11-21(19)27-2/h3-14H,15H2,1-2H3
InChIKeyRDCIAUMQSCZWIO-UHFFFAOYSA-N
XLogP4.37
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine?
The IUPAC name of 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine (CID 134806477) is 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine.
What is the SMILES notation for 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine?
The canonical SMILES for 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine is COc1ccccc1-c1ccnc(-c2nnc(C)n2Cc2ccccc2)c1.
What is the InChIKey of 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine?
The InChIKey is RDCIAUMQSCZWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O/c1-16-24-25-22(26(16)15-17-8-4-3-5-9-17)20-14-18(12-13-23-20)19-10-6-7-11-21(19)27-2/h3-14H,15H2,1-2H3.
What are the key properties of 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine?
2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine has a molecular weight of 356.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(2-methoxyphenyl)pyridine is sourced from PubChem (CID 134806477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).