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Home > Pyridines > 868280-68-6
868280-68-6 | 2-(5-piperidin-4-yl-4H-1,2,4-triazol-3-yl)pyridine dihydrochloride
CAS No: 868280-68-6 Catalog No: AG00JC8E MDL No:MFCD06654881
Product Description
Catalog Number:
AG00JC8E
Chemical Name:
2-(5-piperidin-4-yl-4H-1,2,4-triazol-3-yl)pyridine dihydrochloride
CAS Number:
868280-68-6
Molecular Formula:
C12H15N5
Molecular Weight:
229.2810
MDL Number:
MFCD06654881
IUPAC Name:
2-(5-piperidin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
InChI:
InChI=1S/C12H15N5/c1-2-6-14-10(3-1)12-15-11(16-17-12)9-4-7-13-8-5-9/h1-3,6,9,13H,4-5,7-8H2,(H,15,16,17)
InChI Key:
QITDVUFBATVFRV-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1nnc([nH]1)c1ccccn1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.133g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.287g/mol
Monoisotopic Mass:
229.133g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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