CCC(C1=NN=C(NC1=O)C2CCCC2)N
Название: 6-(1-aminopropyl)-3-cyclopentyl-4H-1,2,4-triazin-5-one
SMILES: CCC(C1=NN=C(NC1=O)C2CCCC2)N

Molecular Processing

Molecular formula
C11H18N4O
Molecular weight
222.29
Exact mass
222.1481
XLogP
1.23
TPSA
84.66
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.727
Molar refractivity
61.08

Supplementary Information

InChIKey: NMGGKBQJHSJZDI-UHFFFAOYSA-N
Синонимы
SCHEMBL5846443NMGGKBQJHSJZDI-UHFFFAOYSA-N6-(1-amino-propyl)-3-cyclopentyl-1,2,4-triazin-5(4h)-one6-(1-aminopropyl)-3-cyclopentyl-1,2,4-triazin-5(4H)-one
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