TPA 023 5mg

CAT: 0628-A20140-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A20140-5Size:5 mg

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CAS Number

252977-51-8

Chemical Information

7-(1,1-Dimethylethyl)-6-((1-ethyl-1H-1,2,4-triazol-5-yl)methoxy)-3-(2-fluorophenyl)-1,2,4-triazolo(4,3-b)pyridazine

MK-0777 has been used in trials studying the treatment of Schizophrenia, Anxiety Disorder, and Generalized Anxiety Disorder.

CAS Number	252977-51-8
PubChem CID	9908684
IUPAC Name	7-tert-butyl-6-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
Molecular Formula	C20H22FN7O
Molecular Weight	395.4
XLogP	3.4
Topological Polar Surface Area	83
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	29
Formal Charge	0
Complexity	547

SMILES

CCN1C(=NC=N1)COC2=NN3C(=NN=C3C4=CC=CC=C4F)C=C2C(C)(C)C

InChI

InChI=1S/C20H22FN7O/c1-5-27-17(22-12-23-27)11-29-19-14(20(2,3)4)10-16-24-25-18(28(16)26-19)13-8-6-7-9-15(13)21/h6-10,12H,5,11H2,1-4H3

InChIKey

QKIWQBLNTSQOLY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 252977-51-8

CID: 9908684

Formula: C20H22FN7O

MW: 395.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	395.4
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	395.18698651
Monoisotopic Mass	395.18698651
Topological Polar Surface Area	83 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	547
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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