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Sitagliptin Intermediate 2

CAT: 0931-T5903Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T5903Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
762240-92-6
Target
Others
Related Pathways
Others
Purity
0.98
Bioactivity
Sitagliptin Intermediate 2 is a useful organic compound that has been used in life science related research.
Smiles
Cl.FC(F)(F)c1nnc2CNCCn12
Molecular Formula
C6H8ClF3N4
Molecular Weight
228.603
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
CAS Number762240-92-6
PubChem CID11961371
IUPAC Name3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;hydrochloride
Molecular FormulaC6H8ClF3N4
Molecular Weight228.60
Topological Polar Surface Area42.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity195
SMILES
C1CN2C(=NN=C2C(F)(F)F)CN1.Cl
InChI
InChI=1S/C6H7F3N4.ClH/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5;/h10H,1-3H2;1H
InChIKey
AQCSCRYRCRORET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine hydrochloride
CAS: 762240-92-6
CID: 11961371
Formula: C6H8ClF3N4
MW: 228.60
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight228.60
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass228.0389585
Monoisotopic Mass228.0389585
Topological Polar Surface Area42.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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