Название: 2-[3-oxo-6-(1,2,4-triazol-1-yl)pyrido[2,3-b]pyrazin-4-yl]acetaldehyde
SMILES:
C1=CC(=NC2=C1N=CC(=O)N2CC=O)N3C=NC=N3Molecular Processing
Molecular formula
C11H8N6O2
Molecular weight
256.22
Exact mass
256.0709
XLogP
-0.43
TPSA
95.56
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
64.78
Supplementary Information
InChIKey: MSUONASTDYIDLT-UHFFFAOYSA-N
Синонимы
SCHEMBL4140549MSUONASTDYIDLT-UHFFFAOYSA-N(3-oxo-6-(1H-1,2,4-triazol-1-yl)pyrido(2,3-b)pyrazin-4(3H)-yl)acetaldehyde
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