11-(4-methoxyphenyl)-3,4,6,9,10-pentaazatricyclo[7.3.0.0²,?]dodeca-1(12),2,7,10-tetraen-5-one

11-(4-methoxyphenyl)-3,4,6,9,10-pentaazatricyclo[7.3.0.0²,?]dodeca-1(12),2,7,10-tetraen-5-one

CAS: 1030089-63-4

Formula: C14H11N5O2

SMILES: COC1=CC=C(C=C1)C1=NN2C=CN3C(=O)NN=C3C2=C1

IUPAC: 11-(4-methoxyphenyl)-3,4,6,9,10-pentaazatricyclo[7.3.0.0²,?]dodeca-1(12),2,7,10-tetraen-5-one

InChI: InChI=1S/C14H11N5O2/c1-21-10-4-2-9(3-5-10)11-8-12-13-15-16-14(20)18(13)6-7-19(12)17-11/h2-8H,1H3,(H,16,20)

Composition: C (59.78%), H (3.94%), N (24.90%), O (11.38%)

Molar Mass: 281.275

Atom Count: 32

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	281.091274614
Formal Charge	0
FSP3	0.07
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DFPZFRWCWHJZMU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.15
Topological Polar Surface Area	71.75
Polarizability	29.33
Ring Count	4
Rotatable Bond Count	2

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