chempirical

2,5-Diaminobenzonitrile

C7H7N3CAS 14346-13-5133.15 g/mol

Open in Covalent MOL file
H2NNNH2
NitrilePrimary amine

Properties

Molecular formula
C7H7N3
Molar mass
133.15 g/mol
Exact mass
133.0640 Da
logP
0.72Crippen estimate
Polar surface area
75.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
14346-13-5
SMILES
C1=CC(=C(C=C1N)C#N)N
InChIKey
YVXLBNXZXSWLIK-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,9-10H2

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Work with 2,5-Diaminobenzonitrile

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

4-Amino-1,2-benzenedicarbonitrile56765-79-869 % similar 2-Amino-5-bromobenzonitrile39263-32-660 % similar 5-Amino-2-fluorobenzonitrile53312-81-560 % similar 2-Amino-5-chlorobenzonitrile5922-60-160 % similar 2-Aminobenzonitrile1885-29-656 % similar 4-Amino-2-chlorobenzonitrile20925-27-355 % similar 4-Amino-2-fluorobenzonitrile53312-80-455 % similar 4,5-Diamino-1,2-benzenedicarbonitrile129365-93-154 % similar

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

Same formula

1H-Pyrrolo[2,3-B]pyridin-5-ylamine100960-07-4 1H-Pyrazolo[3,4-B]pyridine,3-methyl-(9ci)116834-96-9 1-Methylbenzotriazole13351-73-0 5-Methylbenzotriazole136-85-6 3,4-Diaminobenzonitrile17626-40-3 6-Amino-2-methylnicotinonitrile183428-90-2 1H-Indazol-5-amine19335-11-6 1H-Indazol-7-amine21443-96-9

Elsewhere

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