6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

C15H15N3O — CID 117138066

IUPAC6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc2nnc(Cc3ccccc3C)n2c1
InChIInChI=1S/C15H15N3O/c1-11-5-3-4-6-12(11)9-15-17-16-14-8-7-13(19-2)10-18(14)15/h3-8,10H,9H2,1-2H3
InChIKeyYNHQKHQYXPLESY-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.64
Rot. Bonds3

About 6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine

6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117138066) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117138066
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ccc2nnc(Cc3ccccc3C)n2c1
InChIInChI=1S/C15H15N3O/c1-11-5-3-4-6-12(11)9-15-17-16-14-8-7-13(19-2)10-18(14)15/h3-8,10H,9H2,1-2H3
InChIKeyYNHQKHQYXPLESY-UHFFFAOYSA-N
XLogP2.64
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 117138066) is 6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is COc1ccc2nnc(Cc3ccccc3C)n2c1.
What is the InChIKey of 6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YNHQKHQYXPLESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11-5-3-4-6-12(11)9-15-17-16-14-8-7-13(19-2)10-18(14)15/h3-8,10H,9H2,1-2H3.
What are the key properties of 6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine?
6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 253.31 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-[(2-methylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117138066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).