4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C12H10N6O2 — CID 60981868

IUPAC4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H10N6O2/c19-11(14-6-9-15-7-16-17-9)8-5-13-10-3-1-2-4-18(10)12(8)20/h1-5,7H,6H2,(H,14,19)(H,15,16,17)
InChIKeyZIFGBOGVQUZTSM-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.26
Rot. Bonds3

About 4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 60981868) has the molecular formula C12H10N6O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is 4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID60981868
Molecular FormulaC12H10N6O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ncn[nH]1)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H10N6O2/c19-11(14-6-9-15-7-16-17-9)8-5-13-10-3-1-2-4-18(10)12(8)20/h1-5,7H,6H2,(H,14,19)(H,15,16,17)
InChIKeyZIFGBOGVQUZTSM-UHFFFAOYSA-N
XLogP-0.26
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylnicotinamide
CID 70728441
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 60983309
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64512070
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-5-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 166321498
5-(1H-1,2,4-triazole-5-carbonyl)-1,5,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),9,11,13-tetraen-2-one
CID 91632425
9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 122547612
8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45239403
4-oxo-N-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 45875925
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45895777
2,4-dioxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 54883095
4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 54883341
2-hydroxy-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-4-carboxamide
CID 54884799

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 60981868) is 4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is O=C(NCc1ncn[nH]1)c1cnc2ccccn2c1=O.
What is the InChIKey of 4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZIFGBOGVQUZTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N6O2/c19-11(14-6-9-15-7-16-17-9)8-5-13-10-3-1-2-4-18(10)12(8)20/h1-5,7H,6H2,(H,14,19)(H,15,16,17).
What are the key properties of 4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 270.25 g/mol, XLogP of -0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 60981868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).