2-(1-methyl-1H-1,2,4-triazol-5-yl)acetonitrile

HCID 65601535
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1ncnc1CC#N
InChIKey
FFUCQSVQOAAZIK-UHFFFAOYSA-N
Molecular formula
C5H6N4
Average molar mass
122.13 g/mol

Names & identifiers

Preferred name
2-(1-methyl-1H-1,2,4-triazol-5-yl)acetonitrile
IUPAC
2-(2-methyl-1,2,4-triazol-3-yl)acetonitrile

Names & synonyms

2-(1-methyl-1H-1,2,4-triazol-5-yl)acetonitrile1447159-02-5SCHEMBL15109996FFUCQSVQOAAZIK-UHFFFAOYSA-NAKOS014940177DB-1032812-(1-methyl-1,2,4-triazol-5-yl)acetonitrileEN300-1067053

Database identifiers

PubChem CID
65601535

Properties

Computed structural properties

XLogP
-0.3
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
9

Related reactions

3 records
New reaction record

Compound notes

Loading…