chempirical

Ici-63197

C9H13N5OCAS 27277-00-5207.24 g/mol

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NONHNHNN

Properties

Molecular formula
C9H13N5O
Molar mass
207.24 g/mol
Exact mass
207.1120 Da
logP
0.02Crippen estimate
Polar surface area
78.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Identifiers

CAS number
27277-00-5
SMILES
CCCn1c(=O)c(C)cn2[nH]c(=N)nc12
InChIKey
UQDVRVNMIJAGRK-UHFFFAOYSA-N
InChI
InChI=1S/C9H13N5O/c1-3-4-13-7(15)6(2)5-14-9(13)11-8(10)12-14/h5H,3-4H2,1-2H3,(H2,10,12)

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Names and synonyms

10 names
  • [1,2,4]Triazolo[1,5-a]pyrimidin-5(4H)-one, 2-amino-6-methyl-4-propyl-
  • s-Triazolo[1,5-a]pyrimidin-5(4H)-one, 2-amino-6-methyl-4-propyl-
  • 2-Amino-6-methyl-4-propyl[1,2,4]triazolo[1,5-a]pyrimidin-5(4H)-one
  • 2-Amino-6-methyl-4-propyl-s-triazolo[1,5-a]pyrimid-5(4H)-one
  • 2-Amino-6-methyl-5-oxo-4-propyl-4,5-dihydro-s-triazolo[1,5-a]pyrimidine
  • ICI 63197
  • 2-Amino-6-methyl-4-propyl-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
  • 2-Amino-4,5-dihydro-6-methyl-4-propyl-s-triazolo[1,5-a]pyrimidin-5-one
  • 2-Amino-6-methyl-4-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
  • 2-Amino-6-methyl-4-propyl-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one

Work with Ici-63197

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

1,3-Dipropyl-7-methylxanthine31542-63-930 % similar

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

Elsewhere

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