5-{[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl}-1H-1,2,4-triazol-3-amine

5-{[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl}-1H-1,2,4-triazol-3-amine

CAS: 339026-17-4

Formula: C12H6F6N6S

SMILES: NC1=NNC(SC2=NC3=NC(=CC(=C3C=C2)C(F)(F)F)C(F)(F)F)=N1

IUPAC: 5-{[5,7-bis(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl}-1H-1,2,4-triazol-3-amine

InChI: InChI=1S/C12H6F6N6S/c13-11(14,15)5-3-6(12(16,17)18)20-8-4(5)1-2-7(21-8)25-10-22-9(19)23-24-10/h1-3H,(H3,19,22,23,24)

Composition: C (37.90%), H (1.59%), F (29.98%), N (22.10%), S (8.43%)

Molar Mass: 380.27

Atom Count: 31

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	380.027884369
Formal Charge	0
FSP3	0.17
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	FWICVJNYJCZFJC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.95
Topological Polar Surface Area	93.37
Polarizability	27.85
Ring Count	3
Rotatable Bond Count	4

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90%	<2 Days	339026-17-4		$51.35-$524.40$51.35$63.37$86.31$524.40