5,7-dimethyl-6-{[3-(trifluoromethyl)phenyl]methyl}-[1,2,4]triazolo[1,5-a]pyrimidine

5,7-dimethyl-6-{[3-(trifluoromethyl)phenyl]methyl}-[1,2,4]triazolo[1,5-a]pyrimidine

CAS: 439111-25-8

Formula: C15H13F3N4

SMILES: CC1=NC2=NC=NN2C(C)=C1CC1=CC=CC(=C1)C(F)(F)F

IUPAC: 5,7-dimethyl-6-{[3-(trifluoromethyl)phenyl]methyl}-[1,2,4]triazolo[1,5-a]pyrimidine

InChI: InChI=1S/C15H13F3N4/c1-9-13(10(2)22-14(21-9)19-8-20-22)7-11-4-3-5-12(6-11)15(16,17)18/h3-6,8H,7H2,1-2H3

Composition: C (58.82%), H (4.28%), F (18.61%), N (18.29%)

Molar Mass: 306.292

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	306.109230924
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	VEEWFLWWEGKBPN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	89.06
Topological Polar Surface Area	43.08
Polarizability	27.5
Ring Count	3
Rotatable Bond Count	3

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