1-Amino-1H-pyrrole-2-carbonitrile hydrochloride

C₅H₆ClN₃CAS 937046-97-4143.57 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₅H₆ClN₃
Molar mass: 143.57 g/mol
Exact mass: 143.0250 Da
logP: 0.50Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

937046-97-4

SMILES

C1=CN(C(=C1)C#N)N.Cl

InChIKey

OQTSWPFWLRHRAN-UHFFFAOYSA-N

InChI

InChI=1S/C5H5N3.ClH/c6-4-5-2-1-3-8(5)7;/h1-3H,7H2;1H

Weigh it out

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Names and synonyms

1 names

1-Aminopyrrole-2-carbonitrile hydrochloride

Work with 1-Amino-1H-pyrrole-2-carbonitrile hydrochloride

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-Methylpyrrole-2-carbonitrile34884-10-147 % similar 4-Hydrazinobenzonitrile monohydrochloride2863-98-133 % similar N-(4-Cyanophenyl)guanidine hydrochloride373690-68-733 % similar 1,1-Dimethylethyl N-(2-cyano-1H-pyrrol-1-yl)carbamate937046-96-333 % similar 1-Amino-1H-pyrrole-2-carboxamide159326-69-932 % similar 4-(Aminomethyl)benzonitrile hydrochloride15996-76-632 % similar Phthalonitrile91-15-631 % similar Benzonitrile100-47-030 % similar

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

Same formula

6-Chloro-5-methylpyrimidin-4-amine14394-56-0 2-Chloro-6-methyl-4-pyrimidinamine14394-60-6 4-Amino-2-chloro-5-methylpyrimidine14394-70-8 6-Chloro-N-methyl-3-pyridazinamine14959-32-1 6-Chloro-2-methylpyrimidin-4-amine1749-68-4 2-Chloro-4-methylpyrimidin-5-amine20090-69-1 3-Chloro-2-hydrazinylpyridine22841-92-5 4-Chloropyridine-2,3-diamine24484-98-8

Elsewhere

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