2-{[(4-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-{[(4-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

CAS: 51646-16-3

Formula: C14H13ClN4S

SMILES: CC1=NC2=NC(SCC3=CC=C(Cl)C=C3)=NN2C(C)=C1

IUPAC: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

InChI: InChI=1S/C14H13ClN4S/c1-9-7-10(2)19-13(16-9)17-14(18-19)20-8-11-3-5-12(15)6-4-11/h3-7H,8H2,1-2H3

Composition: C (55.17%), H (4.30%), Cl (11.63%), N (18.38%), S (10.52%)

Molar Mass: 304.8

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	304.0549453
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HJOJVYPLOUSZAX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.52
Topological Polar Surface Area	43.08
Polarizability	31.43
Ring Count	3
Rotatable Bond Count	3

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