3-benzoyl-1,4,5,6,8-pentaazaacenaphthylen-3-amine - CAS 1638768-32-7

Catalog:	BB012056
Product Name:	3-benzoyl-1,4,5,6,8-pentaazaacenaphthylen-3-amine
CAS:	1638768-32-7
Synonyms:	(5-amino-2,6,7,9,11-pentazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,6,8,10-pentaen-5-yl)-phenylmethanone; (5-amino-2,6,7,9,11-pentazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),3,6,8,10-pentaen-5-yl)-phenylmethanone

Technical Data

IUPAC Name:	N-(7-methyl-2,6,7,9,11-pentazatricyclo[6.3.1.04,12]dodeca-1,3,5,8(12),9-pentaen-5-yl)benzamide
Description:	3-benzoyl-1,4,5,6,8-pentaazaacenaphthylen-3-amine (CAS# 1638768-32-7 ) is a useful research chemical.
Molecular Weight:	278.275
Molecular Formula:	C14H10N6O
Canonical SMILES:	C1=CC=C(C=C1)C(=O)C2(C3=CNC4=NC=NC(=C34)N=N2)N
InChI:	InChI=1S/C14H10N6O/c15-14(11(21)8-4-2-1-3-5-8)9-6-16-12-10(9)13(19-20-14)18-7-17-12/h1-7H,15H2,(H,16,17,18)
InChI Key:	PGPAMVRAIOEKFB-UHFFFAOYSA-N

Complexity:	426
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	292.10725903
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	292.10725903
Rotatable Bond Count:	2
Topological Polar Surface Area:	88.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8