3-[5-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid

3-[5-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid

CAS: 1018150-48-5

Formula: C12H11F3N4O2

SMILES: OC(=O)CCC1=NN2C(=N1)N=C(C=C2C(F)(F)F)C1CC1

IUPAC: 3-[5-cyclopropyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]propanoic acid

InChI: InChI=1S/C12H11F3N4O2/c13-12(14,15)8-5-7(6-1-2-6)16-11-17-9(18-19(8)11)3-4-10(20)21/h5-6H,1-4H2,(H,20,21)

Composition: C (48.01%), H (3.69%), F (18.98%), N (18.66%), O (10.66%)

Molar Mass: 300.241

Atom Count: 32

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	300.083410099
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	AYGJDEUYYKTLQC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.96
Topological Polar Surface Area	80.38
Polarizability	23.74
Ring Count	3
Rotatable Bond Count	5

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