7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile

C13H9N5O — CID 1476831

IUPAC7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
SMILESN#CC1=C(N)Cc2nc(-c3ccccc3)nn2C1=O
InChIInChI=1S/C13H9N5O/c14-7-9-10(15)6-11-16-12(17-18(11)13(9)19)8-4-2-1-3-5-8/h1-5H,6,15H2
InChIKeySCFLIUQAHUFFOG-UHFFFAOYSA-N
MW251.25 g/mol
LogP0.88
Rot. Bonds1

About 7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile

7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile (PubChem CID 1476831) has the molecular formula C13H9N5O and a molecular weight of 251.25 g/mol. Its IUPAC name is 7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
PubChem CID1476831
Molecular FormulaC13H9N5O
Molecular Weight251.25 g/mol
Exact Mass251.08
IUPAC Name7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile
SMILESN#CC1=C(N)Cc2nc(-c3ccccc3)nn2C1=O
InChIInChI=1S/C13H9N5O/c14-7-9-10(15)6-11-16-12(17-18(11)13(9)19)8-4-2-1-3-5-8/h1-5H,6,15H2
InChIKeySCFLIUQAHUFFOG-UHFFFAOYSA-N
XLogP0.88
TPSA97.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
The IUPAC name of 7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile (CID 1476831) is 7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
The canonical SMILES for 7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile is N#CC1=C(N)Cc2nc(-c3ccccc3)nn2C1=O.
What is the InChIKey of 7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
The InChIKey is SCFLIUQAHUFFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O/c14-7-9-10(15)6-11-16-12(17-18(11)13(9)19)8-4-2-1-3-5-8/h1-5H,6,15H2.
What are the key properties of 7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile?
7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile has a molecular weight of 251.25 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-oxo-2-phenyl-8H-[1,2,4]triazolo[1,5-a]pyridine-6-carbonitrile is sourced from PubChem (CID 1476831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).