名称: [(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-[6-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone
SMILES:
CC1CCCN(C1CN)C(=O)C2=C(C=CC(=N2)C)N3N=CC=N3Molecular Processing
Molecular formula
C16H22N6O
Molecular weight
314.39
Exact mass
314.1855
XLogP
1.17
TPSA
89.93
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
86.17
Supplementary Information
InChIKey: AQCPLOCSHGPSDL-BXUZGUMPSA-N
同義語
SCHEMBL16277282AQCPLOCSHGPSDL-BXUZGUMPSA-N((2S,3R)-2-(Aminomethyl)-3-methylpiperidin-1-yl)(6-methyl-3-(2H-1,2,3-triazol-2-yl)pyridin-2-yl)methanone
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