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Home Other Building Blocks [3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

[3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

CAS No.:
1427381-11-0
Catalog Number:
AG01A3RE
Molecular Formula:
C8H12F2N4
Molecular Weight:
202.2045
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Product Description
Catalog Number:
AG01A3RE
Chemical Name:
[3-(difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CAS Number:
1427381-11-0
Molecular Formula:
C8H12F2N4
Molecular Weight:
202.2045
MDL Number:
MFCD23144074
IUPAC Name:
[3-(difluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
InChI:
InChI=1S/C8H12F2N4/c9-7(10)8-13-12-6-2-1-5(3-11)4-14(6)8/h5,7H,1-4,11H2
InChI Key:
TVXXXCINSMRGOP-UHFFFAOYSA-N
SMILES:
NCC1CCc2n(C1)c(nn2)C(F)F
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.103g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.209g/mol
Monoisotopic Mass:
202.103g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties