chempirical

Pemirolast

C10H8N6OCAS 69372-19-6228.22 g/mol

Open in Covalent MOL file
NONNHNNN

Properties

Molecular formula
C10H8N6O
Molar mass
228.22 g/mol
Exact mass
228.0760 Da
Melting point
310–311 °C (decomposes)
logP
0.18Crippen estimate
Polar surface area
88.8 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1

Identifiers

CAS number
69372-19-6
SMILES
Cc1cccn2c(=O)c(-c3nn[nH]n3)cnc12
InChIKey
HIANJWSAHKJQTH-UHFFFAOYSA-N
InChI
InChI=1S/C10H8N6O/c1-6-3-2-4-16-9(6)11-5-7(10(16)17)8-12-14-15-13-8/h2-5H,1H3,(H,12,13,14,15)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • 4H-Pyrido[1,2-a]pyrimidin-4-one, 9-methyl-3-(2H-tetrazol-5-yl)-
  • 4H-Pyrido[1,2-a]pyrimidin-4-one, 9-methyl-3-(1H-tetrazol-5-yl)-
  • 9-Methyl-3-(2H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
  • 9-Methyl-3-(1H-tetrazol-5-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

Work with Pemirolast

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Pemirolast potassium100299-08-960 % similar 5-(4′-Methyl-1,1′-biphenyl-2-yl)-1H-tetrazole120568-11-837 % similar 5-(2-Bromophenyl)-2H-tetrazole73096-42-135 % similar 5-(2,3-Dichlorophenyl)-2H-tetrazole175205-12-633 % similar 5-(4-Methylphenyl)-2H-tetrazole24994-04-533 % similar 5-Phenyltetrazole18039-42-432 % similar 3-(2H-Tetrazol-5-yl)pyridine3250-74-631 % similar 5-Bromo-2-(2H-tetrazol-5-yl)pyridine380380-60-930 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook