8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide

C14H14N6O2 — CID 45239403

IUPAC8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NC(C)c3ncn[nH]3)cnc2c1
InChIInChI=1S/C14H14N6O2/c1-8-3-4-20-11(5-8)15-6-10(14(20)22)13(21)18-9(2)12-16-7-17-19-12/h3-7,9H,1-2H3,(H,18,21)(H,16,17,19)
InChIKeyPCJAIEBRJOHIQI-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.61
Rot. Bonds3

About 8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide

8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 45239403) has the molecular formula C14H14N6O2 and a molecular weight of 298.31 g/mol. Its IUPAC name is 8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID45239403
Molecular FormulaC14H14N6O2
Molecular Weight298.31 g/mol
Exact Mass298.12
IUPAC Name8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NC(C)c3ncn[nH]3)cnc2c1
InChIInChI=1S/C14H14N6O2/c1-8-3-4-20-11(5-8)15-6-10(14(20)22)13(21)18-9(2)12-16-7-17-19-12/h3-7,9H,1-2H3,(H,18,21)(H,16,17,19)
InChIKeyPCJAIEBRJOHIQI-UHFFFAOYSA-N
XLogP0.61
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

2-hydroxy-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylnicotinamide
CID 70728441
5-bromo-1-methyl-2-oxo-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-carboxamide
CID 164639552
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 64512070
2-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 103741590
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
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 45895777
4,6-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 54883341
3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54885098
1-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 54885291
4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 60981868

Frequently Asked Questions

What is the IUPAC name of 8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide (CID 45239403) is 8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NC(C)c3ncn[nH]3)cnc2c1.
What is the InChIKey of 8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is PCJAIEBRJOHIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2/c1-8-3-4-20-11(5-8)15-6-10(14(20)22)13(21)18-9(2)12-16-7-17-19-12/h3-7,9H,1-2H3,(H,18,21)(H,16,17,19).
What are the key properties of 8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide?
8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-4-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 45239403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).