Name: N-[1-(3-cyclopentyl-5-oxo-4H-1,2,4-triazin-6-yl)propyl]adamantane-1-carboxamide
SMILES:
CCC(C1=NN=C(NC1=O)C2CCCC2)NC(=O)C34CC5CC(C3)CC(C5)C4Molecular Processing
Molecular formula
C22H32N4O2
Molecular weight
384.52
Exact mass
384.2525
XLogP
3.61
TPSA
87.74
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
6
Aromatic rings
1
Saturated rings
5
Aliphatic rings
5
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.818
Molar refractivity
105.64
Supplementary Information
InChIKey: HNRAKVUIMMUMHM-UHFFFAOYSA-N
Synonyms
SCHEMBL5883567HNRAKVUIMMUMHM-UHFFFAOYSA-NN-[1-(3-Cyclopentyl-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl)propyl]-1-adamantanecarboxamide
Involved in 3 reactions→