2-Amino-3-(5-chlorobenzotriazol-1-yl)-2-methylpropionitrile

HCID 22020268
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Basic information

Standard SMILES
CC(N)(C#N)Cn1nnc2cc(Cl)ccc21
InChIKey
RCDFKUJWAXODEE-UHFFFAOYSA-N
Molecular formula
C10H10ClN5
Average molar mass
235.67 g/mol

Names & identifiers

Preferred name
2-Amino-3-(5-chlorobenzotriazol-1-yl)-2-methylpropionitrile
IUPAC
2-amino-3-(5-chlorobenzotriazol-1-yl)-2-methylpropanenitrile

Names & synonyms

SCHEMBL5198671RCDFKUJWAXODEE-UHFFFAOYSA-N2-amino-3-(5-chlorobenzotriazol-1-yl)-2-methylpropionitrile

Database identifiers

PubChem CID
22020268

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
80.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
16

Related reactions

1 records
New reaction record

Linked notes

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