13-amino-11-(4-methylphenyl)-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,10,12-hexaene-10,12-dicarbonitrile

13-amino-11-(4-methylphenyl)-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,10,12-hexaene-10,12-dicarbonitrile

CAS: 150651-39-1

Formula: C20H13N5

SMILES: CC1=CC=C(C=C1)C1=C(C#N)C2=NC3=CC=CC=C3N2C(N)=C1C#N

IUPAC: 13-amino-11-(4-methylphenyl)-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,10,12-hexaene-10,12-dicarbonitrile

InChI: InChI=1S/C20H13N5/c1-12-6-8-13(9-7-12)18-14(10-21)19(23)25-17-5-3-2-4-16(17)24-20(25)15(18)11-22/h2-9H,23H2,1H3

Composition: C (74.29%), H (4.05%), N (21.66%)

Molar Mass: 323.359

Atom Count: 38

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	323.117095439
Formal Charge	0
FSP3	0.05
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FNESYDFRCQEEKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.47
Topological Polar Surface Area	90.9
Polarizability	38.41
Ring Count	4
Rotatable Bond Count	1

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