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

C11H10N6O — CID 19001408

IUPAC9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(-c3nnnn3C)cnc12
InChIInChI=1S/C11H10N6O/c1-7-4-3-5-17-9(7)12-6-8(11(17)18)10-13-14-15-16(10)2/h3-6H,1-2H3
InChIKeyNRDKLCINVVDIJT-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.19
Rot. Bonds1

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

9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 19001408) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID19001408
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(-c3nnnn3C)cnc12
InChIInChI=1S/C11H10N6O/c1-7-4-3-5-17-9(7)12-6-8(11(17)18)10-13-14-15-16(10)2/h3-6H,1-2H3
InChIKeyNRDKLCINVVDIJT-UHFFFAOYSA-N
XLogP0.19
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 19001408) is 9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)c(-c3nnnn3C)cnc12.
What is the InChIKey of 9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NRDKLCINVVDIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-7-4-3-5-17-9(7)12-6-8(11(17)18)10-13-14-15-16(10)2/h3-6H,1-2H3.
What are the key properties of 9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 242.24 g/mol, XLogP of 0.19, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 19001408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).