5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

CAS: 304687-29-4

Formula: C12H8F3N5

SMILES: NC1=NN2C(=N1)N=C(C=C2C(F)(F)F)C1=CC=CC=C1

IUPAC: 5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

InChI: InChI=1S/C12H8F3N5/c13-12(14,15)9-6-8(7-4-2-1-3-5-7)17-11-18-10(16)19-20(9)11/h1-6H,(H2,16,19)

Composition: C (51.62%), H (2.89%), F (20.41%), N (25.08%)

Molar Mass: 279.226

Atom Count: 28

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	279.073179767
Formal Charge	0
FSP3	0.08
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LPYIIYWRMAUKKS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.87
Topological Polar Surface Area	69.1
Polarizability	24.69
Ring Count	3
Rotatable Bond Count	2

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