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Home > Pyridines > 1864060-76-3
1864060-76-3 | 1-methyl-5-(pyridin-3-yl)-2,3-dihydro-1H-1,2,4-triazol-3-one
CAS No: 1864060-76-3 Catalog No: AG01AMD9 MDL No:MFCD29041060
Product Description
Catalog Number:
AG01AMD9
Chemical Name:
1-methyl-5-(pyridin-3-yl)-2,3-dihydro-1H-1,2,4-triazol-3-one
CAS Number:
1864060-76-3
Molecular Formula:
C8H8N4O
Molecular Weight:
176.1753
MDL Number:
MFCD29041060
IUPAC Name:
2-methyl-3-pyridin-3-yl-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C8H8N4O/c1-12-7(10-8(13)11-12)6-3-2-4-9-5-6/h2-5H,1H3,(H,11,13)
InChI Key:
WKPIKTVCDKISPQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]n(c(n1)c1cccnc1)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.07g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.179g/mol
Monoisotopic Mass:
176.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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