13-{[2-(diethylamino)ethyl]amino}-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile

13-{[2-(diethylamino)ethyl]amino}-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile

CAS: 384376-42-5

Formula: C21H27N5

SMILES: CCN(CC)CCNC1=C(CC)C(C)=C(C#N)C2=NC3=CC=CC=C3N12

IUPAC: 13-{[2-(diethylamino)ethyl]amino}-12-ethyl-11-methyl-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile

InChI: InChI=1S/C21H27N5/c1-5-16-15(4)17(14-22)21-24-18-10-8-9-11-19(18)26(21)20(16)23-12-13-25(6-2)7-3/h8-11,23H,5-7,12-13H2,1-4H3

Composition: C (72.17%), H (7.79%), N (20.04%)

Molar Mass: 349.482

Atom Count: 53

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	349.226645889
Formal Charge	0
FSP3	0.43
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DMKNXKIUSPUYQP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.26
Topological Polar Surface Area	56.36
Polarizability	41.76
Ring Count	3
Rotatable Bond Count	7

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