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Home > Fluorides > 1159553-30-6
1159553-30-6 | 1,2,4-Triazolo[4,3-a]pyrazine, 3-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-
CAS No: 1159553-30-6 Catalog No: AG000H7Q MDL No:MFCD11856682
Product Description
Catalog Number:
AG000H7Q
Chemical Name:
1,2,4-Triazolo[4,3-a]pyrazine, 3-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-
CAS Number:
1159553-30-6
Molecular Formula:
C12H13FN4
Molecular Weight:
232.2568
MDL Number:
MFCD11856682
IUPAC Name:
3-[(4-fluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
InChI:
InChI=1S/C12H13FN4/c13-10-3-1-9(2-4-10)7-11-15-16-12-8-14-5-6-17(11)12/h1-4,14H,5-8H2
InChI Key:
HWUCZYBBJUGEIK-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)Cc1nnc2n1CCNC2
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.112g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.262g/mol
Monoisotopic Mass:
232.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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