Home Nitriles 2-(1-methyl-1H-1,2,4-triazol-3-yl)acetonitrile

2-(1-methyl-1H-1,2,4-triazol-3-yl)acetonitrile

CAS No.:
1934687-72-5
Catalog Number:
AG01DW44
Molecular Formula:
C5H6N4
Molecular Weight:
122.1279
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Product Description
Catalog Number:
AG01DW44
Chemical Name:
2-(1-methyl-1H-1,2,4-triazol-3-yl)acetonitrile
CAS Number:
1934687-72-5
Molecular Formula:
C5H6N4
Molecular Weight:
122.1279
MDL Number:
MFCD28654148
IUPAC Name:
2-(1-methyl-1,2,4-triazol-3-yl)acetonitrile
InChI:
InChI=1S/C5H6N4/c1-9-4-7-5(8-9)2-3-6/h4H,2H2,1H3
InChI Key:
FYSZHICVIHIJDF-UHFFFAOYSA-N
SMILES:
N#CCc1ncn(n1)C
Properties
Complexity:
135  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.059g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
122.131g/mol
Monoisotopic Mass:
122.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties