7-amino-5-(3,4-dichlorophenyl)-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-5-(3,4-dichlorophenyl)-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

Formula: C12H8Cl2N6

SMILES: NC1=C(C#N)C(NC2=NC=NN12)C1=CC=C(Cl)C(Cl)=C1

IUPAC: 7-amino-5-(3,4-dichlorophenyl)-4H,5H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile

InChI: InChI=1/C12H8Cl2N6/c13-8-2-1-6(3-9(8)14)10-7(4-15)11(16)20-12(19-10)17-5-18-20/h1-3,5,10H,16H2,(H,17,18,19)

Composition: C (46.93%), H (2.63%), Cl (23.08%), N (27.36%)

Molar Mass: 307.14

Atom Count: 28

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	306.0187497
Formal Charge	0
FSP3	0.08
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	BZCLEGNWUFSGDS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.49
Topological Polar Surface Area	92.55
Polarizability	28.23
Ring Count	3
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H8Cl2N6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00