9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

C11H9N5O — CID 122547612

IUPAC9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(-c3ncn[nH]3)cnc12
InChIInChI=1S/C11H9N5O/c1-7-3-2-4-16-10(7)12-5-8(11(16)17)9-13-6-14-15-9/h2-6H,1H3,(H,13,14,15)
InChIKeyRZQYKGPQLPRQLX-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.79
Rot. Bonds1

About 9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 122547612) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID122547612
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(-c3ncn[nH]3)cnc12
InChIInChI=1S/C11H9N5O/c1-7-3-2-4-16-10(7)12-5-8(11(16)17)9-13-6-14-15-9/h2-6H,1H3,(H,13,14,15)
InChIKeyRZQYKGPQLPRQLX-UHFFFAOYSA-N
XLogP0.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)prop-2-enamide
CID 140570560
1-methyl-5-(1H-1,2,4-triazol-5-yl)pyridin-2-one
CID 141127086
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
3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54885098
4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 60981868
2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 60982797
N,1-dimethyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 64510133
N-methyl-2-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyridine-3-carboxamide
CID 64510339
N-methyl-4-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 64511828
N-methyl-3-(2-oxo-1-pyridinyl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64512605
3-(2-oxo-1-pyridinyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64518607

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 122547612) is 9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)c(-c3ncn[nH]3)cnc12.
What is the InChIKey of 9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RZQYKGPQLPRQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-3-2-4-16-10(7)12-5-8(11(16)17)9-13-6-14-15-9/h2-6H,1H3,(H,13,14,15).
What are the key properties of 9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 227.23 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(1H-1,2,4-triazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122547612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).