13-amino-11-(3-chlorophenyl)-1,8,10-triazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,12-pentaene-12-carbonitrile

13-amino-11-(3-chlorophenyl)-1,8,10-triazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,12-pentaene-12-carbonitrile

Formula: C17H12ClN5

SMILES: NC1=C(C#N)C(NC2=NC3=CC=CC=C3N12)C1=CC=CC(Cl)=C1

IUPAC: 13-amino-11-(3-chlorophenyl)-1,8,10-triazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,12-pentaene-12-carbonitrile

InChI: InChI=1/C17H12ClN5/c18-11-5-3-4-10(8-11)15-12(9-19)16(20)23-14-7-2-1-6-13(14)21-17(23)22-15/h1-8,15H,20H2,(H,21,22)

Composition: C (63.46%), H (3.76%), Cl (11.02%), N (21.77%)

Molar Mass: 321.77

Atom Count: 35

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	321.0781231
Formal Charge	0
FSP3	0.06
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UHAIKAMECOKRIS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.41
Topological Polar Surface Area	79.66
Polarizability	34.59
Ring Count	4
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H12ClN5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00