2-Amino-3-cyano-4,5-dimethylpyrrole

C₇H₉N₃CAS 21392-51-8135.17 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₇H₉N₃
Molar mass: 135.17 g/mol
Exact mass: 135.0796 Da
logP: 1.09Crippen estimate
Polar surface area: 65.6 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Identifiers

CAS number

21392-51-8

SMILES

CC1=C(NC(=C1C#N)N)C

InChIKey

QZVLATXNNPVXEJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H9N3/c1-4-5(2)10-7(9)6(4)3-8/h10H,9H2,1-2H3

Weigh it out

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

Work with 2-Amino-3-cyano-4,5-dimethylpyrrole

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

2-Amino-4,5-dimethylfuran-3-carbonitrile5117-88-439 % similar 2,3,4,5-Tetramethylpyrrole1003-90-337 % similar Dicyclanil112636-83-634 % similar 5-Amino-3-methyl-4-isothiazolecarbonitrile41808-35-932 % similar 2,5-Diamino-3,4-dicyanothiophene17989-89-831 % similar 4-Amino-5-cyanoimidazole5098-11-331 % similar 2,3-Dimethylindole91-55-431 % similar

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

Same formula

1-Cyanoethyl-2-methylimidazole23996-55-6

Elsewhere

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