N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide

C17H14N6O2 — CID 664224

IUPACN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide
SMILESO=C1CC(c2ccccc2)n2nc(NC(=O)c3ccccn3)nc2N1
InChIInChI=1S/C17H14N6O2/c24-14-10-13(11-6-2-1-3-7-11)23-17(19-14)21-16(22-23)20-15(25)12-8-4-5-9-18-12/h1-9,13H,10H2,(H2,19,20,21,22,24,25)
InChIKeyGLLGSBDKEWPFNG-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.86
Rot. Bonds3

About N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide

N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide (PubChem CID 664224) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide
PubChem CID664224
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC NameN-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide
SMILESO=C1CC(c2ccccc2)n2nc(NC(=O)c3ccccn3)nc2N1
InChIInChI=1S/C17H14N6O2/c24-14-10-13(11-6-2-1-3-7-11)23-17(19-14)21-16(22-23)20-15(25)12-8-4-5-9-18-12/h1-9,13H,10H2,(H2,19,20,21,22,24,25)
InChIKeyGLLGSBDKEWPFNG-UHFFFAOYSA-N
XLogP1.86
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide (CID 664224) is N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide is O=C1CC(c2ccccc2)n2nc(NC(=O)c3ccccn3)nc2N1.
What is the InChIKey of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide?
The InChIKey is GLLGSBDKEWPFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c24-14-10-13(11-6-2-1-3-7-11)23-17(19-14)21-16(22-23)20-15(25)12-8-4-5-9-18-12/h1-9,13H,10H2,(H2,19,20,21,22,24,25).
What are the key properties of N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide?
N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide has a molecular weight of 334.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-7-phenyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 664224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).