4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C18H14N6O2 — CID 86929665

IUPAC4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C18H14N6O2/c25-17(15-9-20-16-3-1-2-8-24(16)18(15)26)22-14-6-4-13(5-7-14)10-23-12-19-11-21-23/h1-9,11-12H,10H2,(H,22,25)
InChIKeyGJMWTXWOJJSENP-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.59
Rot. Bonds4

About 4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 86929665) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID86929665
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1ccc(Cn2cncn2)cc1)c1cnc2ccccn2c1=O
InChIInChI=1S/C18H14N6O2/c25-17(15-9-20-16-3-1-2-8-24(16)18(15)26)22-14-6-4-13(5-7-14)10-23-12-19-11-21-23/h1-9,11-12H,10H2,(H,22,25)
InChIKeyGJMWTXWOJJSENP-UHFFFAOYSA-N
XLogP1.59
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 86929665) is 4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(Cn2cncn2)cc1)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is GJMWTXWOJJSENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c25-17(15-9-20-16-3-1-2-8-24(16)18(15)26)22-14-6-4-13(5-7-14)10-23-12-19-11-21-23/h1-9,11-12H,10H2,(H,22,25).
What are the key properties of 4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 86929665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).