CN1C2=C(C=NC=C2)NCC3=CC=CN31
Name: 2-methyl-2,3,9,12-tetrazatricyclo[8.4.0.03,7]tetradeca-1(10),4,6,11,13-pentaene
SMILES: CN1C2=C(C=NC=C2)NCC3=CC=CN31

Molecular Processing

Molecular formula
C11H12N4
Molecular weight
200.24
Exact mass
200.1062
XLogP
1.71
TPSA
33.09
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
15
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
59.8

Supplementary Information

InChIKey: VJCKADNCTQQNAI-UHFFFAOYSA-N
Synonyms
SCHEMBL9789046VJCKADNCTQQNAI-UHFFFAOYSA-N10,11-dihydro-5-methyl-5H-pyrido[3,4-f]pyrrolo[1,2-b][1,2,5]triazepine
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Involved in 10 reactions→

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