2-(piperazin-1-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine dihydrochloride

2-(piperazin-1-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine dihydrochloride

CAS: 1177093-00-3

Formula: C11H13Cl2F3N6O

SMILES: Cl.Cl.FC(F)(F)C1=NC(=NO1)C1=NC(=NC=C1)N1CCNCC1

IUPAC: 2-(piperazin-1-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrimidine dihydrochloride

InChI: InChI=1S/C11H11F3N6O.2ClH/c12-11(13,14)9-18-8(19-21-9)7-1-2-16-10(17-7)20-5-3-15-4-6-20;;/h1-2,15H,3-6H2;2*1H

Composition: C (35.41%), H (3.51%), Cl (19.00%), F (15.27%), N (22.52%), O (4.29%)

Molar Mass: 373.16

Atom Count: 36

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	372.047999
Formal Charge	0
FSP3	0.45
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	ZCDPGVADUIKJBL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.96
Topological Polar Surface Area	79.97
Polarizability	24.6
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1177093-00-3		$51.35-$442.46$51.35$63.37$86.31$442.46