Name: 2-azido-4-(methylamino)pyrimidine-5-carbonitrile
SMILES:
CNC1=NC(=NC=C1C#N)N=[N+]=[N-]Molecular Processing
Molecular formula
C6H5N7
Molecular weight
175.16
Exact mass
175.0606
XLogP
1.33
TPSA
110.36
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
45.1
Supplementary Information
InChIKey: ZXXVDPUIUWOPRV-UHFFFAOYSA-N
Synonyme
ZXXVDPUIUWOPRV-UHFFFAOYSA-N2-Azido-5-cyano-4-methylamino-pyrimidine
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