7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

C11H10N6O — CID 11593922

IUPAC7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)c2ncc(-c3nn[nH]n3)c(=O)n2c1
InChIInChI=1S/C11H10N6O/c1-6-3-7(2)10-12-4-8(9-13-15-16-14-9)11(18)17(10)5-6/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyKUFLXDGNNJTWJS-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.49
Rot. Bonds1

About 7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one

7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (PubChem CID 11593922) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
PubChem CID11593922
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(C)c2ncc(-c3nn[nH]n3)c(=O)n2c1
InChIInChI=1S/C11H10N6O/c1-6-3-7(2)10-12-4-8(9-13-15-16-14-9)11(18)17(10)5-6/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyKUFLXDGNNJTWJS-UHFFFAOYSA-N
XLogP0.49
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Pemirolast
CID 57697
Pemirolast Potassium
CID 443866
3,5-dimethyl-1-[(Z)-2-(2H-tetrazol-5-yl)prop-1-enyl]pyridin-2-one
CID 155524572
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
7-n-Butyl-3-(1H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 11499998
7-Ethyl-3-(1H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 11543254
4H-Pyrido[1,2-a]pyrimidin-4-one, 7-methyl-3-(1H-tetrazol-5-yl)-
CID 11586649
7-Chloro-3-(1H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 11601249

Frequently Asked Questions

What is the IUPAC name of 7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one (CID 11593922) is 7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is Cc1cc(C)c2ncc(-c3nn[nH]n3)c(=O)n2c1.
What is the InChIKey of 7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KUFLXDGNNJTWJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-6-3-7(2)10-12-4-8(9-13-15-16-14-9)11(18)17(10)5-6/h3-5H,1-2H3,(H,13,14,15,16).
What are the key properties of 7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one?
7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 242.24 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,9-dimethyl-3-(2H-tetrazol-5-yl)pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 11593922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).