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JTP 103237

CAT: 0926-IAD86416-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-IAD86416-02Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1883864-16-1
Smiles
CC (C) (C) C1=CC (=NC (=N1) N2CCN3C (=NN=C3C4=CC=C (C=C4) OC (F) (F) F) C2) C (C) (C) C
Molecular Formula
C24H29F3N6O
Molecular Weight
474.5 g/mol
Controlled
No

Chemical Information

7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine

inhibits monoacylglycerol acyltransferase 2; structure in first source

CAS Number1883864-16-1
PubChem CID91884614
IUPAC Name7-(4,6-ditert-butylpyrimidin-2-yl)-3-[4-(trifluoromethoxy)phenyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
Molecular FormulaC24H29F3N6O
Molecular Weight474.5
XLogP5.7
Topological Polar Surface Area69
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity664
SMILES
CC(C)(C)C1=CC(=NC(=N1)N2CCN3C(=NN=C3C4=CC=C(C=C4)OC(F)(F)F)C2)C(C)(C)C
InChI
InChI=1S/C24H29F3N6O/c1-22(2,3)17-13-18(23(4,5)6)29-21(28-17)32-11-12-33-19(14-32)30-31-20(33)15-7-9-16(10-8-15)34-24(25,26)27/h7-10,13H,11-12,14H2,1-6H3
InChIKey
KELNXHBJTXCXSN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine
CAS: 1883864-16-1
CID: 91884614
Formula: C24H29F3N6O
MW: 474.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.5
XLogP35.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass474.23549406
Monoisotopic Mass474.23549406
Topological Polar Surface Area69 Ų
Heavy Atom Count34
Formal Charge0
Complexity664
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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