2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile

C15H9N5O — CID 14892836

IUPAC2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile
SMILESCc1nc2c(C#N)c(-c3ccccc3)c(C#N)c(=O)n2[nH]1
InChIInChI=1S/C15H9N5O/c1-9-18-14-11(7-16)13(10-5-3-2-4-6-10)12(8-17)15(21)20(14)19-9/h2-6H,1H3,(H,18,19)
InChIKeyXYKOYMIEROWDHQ-UHFFFAOYSA-N
MW275.27 g/mol
LogP1.74
Rot. Bonds1

About 2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile

2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile (PubChem CID 14892836) has the molecular formula C15H9N5O and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile.

Molecular Properties

Compound Name2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile
PubChem CID14892836
Molecular FormulaC15H9N5O
Molecular Weight275.27 g/mol
Exact Mass275.08
IUPAC Name2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile
SMILESCc1nc2c(C#N)c(-c3ccccc3)c(C#N)c(=O)n2[nH]1
InChIInChI=1S/C15H9N5O/c1-9-18-14-11(7-16)13(10-5-3-2-4-6-10)12(8-17)15(21)20(14)19-9/h2-6H,1H3,(H,18,19)
InChIKeyXYKOYMIEROWDHQ-UHFFFAOYSA-N
XLogP1.74
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile?
The IUPAC name of 2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile (CID 14892836) is 2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile.
What is the SMILES notation for 2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile?
The canonical SMILES for 2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile is Cc1nc2c(C#N)c(-c3ccccc3)c(C#N)c(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile?
The InChIKey is XYKOYMIEROWDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5O/c1-9-18-14-11(7-16)13(10-5-3-2-4-6-10)12(8-17)15(21)20(14)19-9/h2-6H,1H3,(H,18,19).
What are the key properties of 2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile?
2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile has a molecular weight of 275.27 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-oxo-7-phenyl-3H-[1,2,4]triazolo[1,5-a]pyridine-6,8-dicarbonitrile is sourced from PubChem (CID 14892836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).