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1174647-37-0 | 3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyridine
CAS No: 1174647-37-0 Catalog No: AG01A1BQ MDL No:MFCD16807162
Product Description
Catalog Number:
AG01A1BQ
Chemical Name:
3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyridine
CAS Number:
1174647-37-0
Molecular Formula:
C10H11N5
Molecular Weight:
201.2278
MDL Number:
MFCD16807162
IUPAC Name:
3-pyridin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
InChI:
InChI=1S/C10H11N5/c1-2-8(6-11-3-1)10-14-13-9-7-12-4-5-15(9)10/h1-3,6,12H,4-5,7H2
InChI Key:
YBIKHRIJAYJYEN-UHFFFAOYSA-N
SMILES:
c1ccc(cn1)c1nnc2n1CCNC2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.101g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.233g/mol
Monoisotopic Mass:
201.101g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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