4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine

C11H9N5CAS 5334-30-5211.23 g/mol

Open in Covalent MOL file
NNNNNH2
Primary amine

Properties

Molecular formula
C11H9N5
Molar mass
211.23 g/mol
Exact mass
211.0858 Da
logP
1.40Crippen estimate
Polar surface area
69.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
5334-30-5
SMILES
C1=CC=C(C=C1)N2C3=NC=NC(=C3C=N2)N
InChIKey
KKDPIZPUTYIBFX-UHFFFAOYSA-N
InChI
InChI=1S/C11H9N5/c12-10-9-6-15-16(11(9)14-7-13-10)8-4-2-1-3-5-8/h1-7H,(H2,12,13,14)

Weigh it out

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

Names and synonyms

1 names
  • Pp3

Work with 4-Amino-1-phenylpyrazolo(3,4-d)pyrimidine

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

1,5-Dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one21314-17-063 % similar 5-Amino-1-phenyl-1H-pyrazole-4-carbonitrile5334-43-040 % similar Chloridazon1698-60-837 % similar 5-Amino-1-phenyl-4-pyrazolecarboxamide50427-77-537 % similar Furo[2,3-d]pyrimidin-4-amine186454-70-634 % similar Pyrrolo[2,1-f][1,2,4]triazin-4-amine159326-68-833 % similar 4,5-Dibromo-2-phenyl-3(2H)-pyridazinone14305-08-933 % similar 4,5-Dichloro-2-phenyl-3(2H)-pyridazinone1698-53-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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