C1CNC(=O)N(C1)C2=CN=CC=C2
CAS: 1099094-01-5
Name: 1-pyridin-3-yl-1,3-diazinan-2-one
SMILES: C1CNC(=O)N(C1)C2=CN=CC=C2

Molecular Processing

Molecular formula
C9H11N3O
Molecular weight
177.21
Exact mass
177.0902
XLogP
1
TPSA
45.23
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
49.6

Supplementary Information

InChIKey: HWBMBCXNCGQDJS-UHFFFAOYSA-N
Synonyme
1-pyridin-3-yl-tetrahydro-pyrimidin-2-oneSCHEMBL3783246HWBMBCXNCGQDJS-UHFFFAOYSA-N1099094-01-5DB-329018
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