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

C13H14N6O — CID 10199311

IUPAC9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(-c3nnn(C(C)C)n3)cnc12
InChIInChI=1S/C13H14N6O/c1-8(2)19-16-11(15-17-19)10-7-14-12-9(3)5-4-6-18(12)13(10)20/h4-8H,1-3H3
InChIKeyDJQBYXKYQXHFGY-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.24
Rot. Bonds2

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

9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 10199311) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID10199311
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)c(-c3nnn(C(C)C)n3)cnc12
InChIInChI=1S/C13H14N6O/c1-8(2)19-16-11(15-17-19)10-7-14-12-9(3)5-4-6-18(12)13(10)20/h4-8H,1-3H3
InChIKeyDJQBYXKYQXHFGY-UHFFFAOYSA-N
XLogP1.24
TPSA77.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

Pemirolast
CID 57697
Pemirolast Potassium
CID 443866
9-Methyl-3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 23257217
4H-Pyrido[1,2-a]pyrimidin-4-one, 9-methyl-3-(2H-tetrazol-5-yl)-, potassium salt (1:1)
CID 9816805
Pemirolast sodium
CID 23679712
9-methyl-3-(2H-tetrazol-5-yl)-2,3-dihydropyrido[1,2-a]pyrimidin-4-one
CID 146162151
3-(1H-tetrazol-5-yl)4H-pyrido[1,2-a]pyrimidin-4-one
CID 11499481
9-Ethyl-3-(1H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 11658779
4H-Pyrido[1,2-a]pyrimidin-4-one, 8-methyl-3-(1H-tetrazol-5-yl)-
CID 11665774
potassium 5-(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)tetrazol-2-ide
CID 14853159
3-(2-Ethyltetrazol-5-yl)-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 19001407
9-Methyl-3-(1-methyltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 19001408

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 10199311) is 9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)c(-c3nnn(C(C)C)n3)cnc12.
What is the InChIKey of 9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DJQBYXKYQXHFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-8(2)19-16-11(15-17-19)10-7-14-12-9(3)5-4-6-18(12)13(10)20/h4-8H,1-3H3.
What are the key properties of 9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 270.30 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(2-propan-2-yltetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 10199311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).