Home Other Building Blocks 3-[(2,6-difluorophenyl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

3-[(2,6-difluorophenyl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine

CAS No.:
1518948-39-4
Catalog Number:
AG01B4U7
Molecular Formula:
C12H12F2N4
Molecular Weight:
250.2473
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Product Description
Catalog Number:
AG01B4U7
Chemical Name:
3-[(2,6-difluorophenyl)methyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine
CAS Number:
1518948-39-4
Molecular Formula:
C12H12F2N4
Molecular Weight:
250.2473
MDL Number:
MFCD24969503
IUPAC Name:
3-[(2,6-difluorophenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
InChI:
InChI=1S/C12H12F2N4/c13-9-2-1-3-10(14)8(9)6-11-16-17-12-7-15-4-5-18(11)12/h1-3,15H,4-7H2
InChI Key:
FNOFVDIROIVXNK-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1Cc1nnc2n1CCNC2)F
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.103g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
250.253g/mol
Monoisotopic Mass:
250.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties