Name: 1,1′-carbonyldi(1,2,4-triazole)
SMILES:
O=C(n1cncn1)n1cncn1Molecular Processing
Molecular formula
C5H4N6O
Molecular weight
164.13
Exact mass
164.0447
XLogP
-0.61
TPSA
78.49
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
36.24
Supplementary Information
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