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486460-21-3 | 3-(Trifluoromethyl);-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CAS No: 486460-21-3 Catalog No: AG003BAJ MDL No:MFCD08460920
Product Description
Catalog Number:
AG003BAJ
Chemical Name:
3-(Trifluoromethyl);-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CAS Number:
486460-21-3
Molecular Formula:
C6H7F3N4
Molecular Weight:
192.1418
MDL Number:
MFCD08460920
IUPAC Name:
3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
InChI:
InChI=1S/C6H7F3N4/c7-6(8,9)5-12-11-4-3-10-1-2-13(4)5/h10H,1-3H2
InChI Key:
FMTDZGCPYKWMPT-UHFFFAOYSA-N
SMILES:
FC(c1nnc2n1CCNC2)(F)F
EC Number:
610-429-0
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.062g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.145g/mol
Monoisotopic Mass:
192.062g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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