Home Nitriles 1-methyl-1H-1,2,4-triazole-3-carbonitrile

1-methyl-1H-1,2,4-triazole-3-carbonitrile

CAS No.:
1142927-05-6
Catalog Number:
AG01ALSS
Molecular Formula:
C4H4N4
Molecular Weight:
108.1014
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Product Description
Catalog Number:
AG01ALSS
Chemical Name:
1-methyl-1H-1,2,4-triazole-3-carbonitrile
CAS Number:
1142927-05-6
Molecular Formula:
C4H4N4
Molecular Weight:
108.1014
MDL Number:
MFCD17241674
IUPAC Name:
1-methyl-1,2,4-triazole-3-carbonitrile
InChI:
InChI=1S/C4H4N4/c1-8-3-6-4(2-5)7-8/h3H,1H3
InChI Key:
FLGDSZZTEJTGJH-UHFFFAOYSA-N
SMILES:
N#Cc1ncn(n1)C
Properties
Complexity:
123  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
108.044g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
108.104g/mol
Monoisotopic Mass:
108.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties