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14803-99-7 | Pyridine, 4-(1H-1,2,4-triazol-5-yl)-
CAS No: 14803-99-7 Catalog No: AG001FEH MDL No:MFCD01678564
Product Description
Catalog Number:
AG001FEH
Chemical Name:
Pyridine, 4-(1H-1,2,4-triazol-5-yl)-
CAS Number:
14803-99-7
Molecular Formula:
C7H6N4
Molecular Weight:
146.1493
MDL Number:
MFCD01678564
IUPAC Name:
4-(1H-1,2,4-triazol-5-yl)pyridine
InChI:
InChI=1S/C7H6N4/c1-3-8-4-2-6(1)7-9-5-10-11-7/h1-5H,(H,9,10,11)
InChI Key:
OYJDWYWNACFAQB-UHFFFAOYSA-N
SMILES:
n1ccc(cc1)c1ncn[nH]1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.153g/mol
Monoisotopic Mass:
146.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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