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59282-83-6 | 5-Pyridin-3-yl-2,4-dihydro-[1,2,4]triazol-3-one
CAS No: 59282-83-6 Catalog No: AG00EKBR MDL No:MFCD19441844
Product Description
Catalog Number:
AG00EKBR
Chemical Name:
5-Pyridin-3-yl-2,4-dihydro-[1,2,4]triazol-3-one
CAS Number:
59282-83-6
Molecular Formula:
C7H6N4O
Molecular Weight:
162.1487
MDL Number:
MFCD19441844
IUPAC Name:
3-pyridin-3-yl-1,4-dihydro-1,2,4-triazol-5-one
InChI:
InChI=1S/C7H6N4O/c12-7-9-6(10-11-7)5-2-1-3-8-4-5/h1-4H,(H2,9,10,11,12)
InChI Key:
JVOIBEVPZKHMKO-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc([nH]1)c1cccnc1
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.152g/mol
Monoisotopic Mass:
162.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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