COc1cc(Nc2ncc(C(C)N)nn2)cc(OC)c1OC
이름: 6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
SMILES: COc1cc(Nc2ncc(C(C)N)nn2)cc(OC)c1OC

Molecular Processing

Molecular formula
C14H19N5O3
Molecular weight
305.34
Exact mass
305.1488
XLogP
1.66
TPSA
104.41
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
81.81

Supplementary Information

InChIKey: BXYVANSPHDUABZ-UHFFFAOYSA-N
동의어
SCHEMBL3993598BXYVANSPHDUABZ-UHFFFAOYSA-N6-(1-aminoethyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-triazin-3-amine
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