CC(C)N1C(=NC=N1)C2=CN3CCOC4=CC(=NC=C4C3=N2)N
الاسم: 4-(2-propan-2-yl-1,2,4-triazol-3-yl)-9-oxa-3,6,13-triazatricyclo[8.4.0.02,6]tetradeca-1(14),2,4,10,12-pentaen-12-amine
SMILES: CC(C)N1C(=NC=N1)C2=CN3CCOC4=CC(=NC=C4C3=N2)N

Molecular Processing

Molecular formula
C15H17N7O
Molecular weight
311.35
Exact mass
311.1495
XLogP
1.76
TPSA
96.67
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
84.77

Supplementary Information

InChIKey: DCQUTHFECVSMPM-UHFFFAOYSA-N
مرادفات
CHEMBL3770630SCHEMBL12688786DCQUTHFECVSMPM-UHFFFAOYSA-NBDBM501495432-(1-isopropyl-1H-1,2,4-triazol-5-yl)-5,6-dihydroimidazo[1,2-d]pyrido[3,4-f][1,4]oxazepin-9-amine
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