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Home > Pyridines > 1795457-36-1
1795457-36-1 | 4-(pyridin-4-yl)-1,2,4-triazolidine-3,5-dione
CAS No: 1795457-36-1 Catalog No: AG01BCP8 MDL No:MFCD28118235
Product Description
Catalog Number:
AG01BCP8
Chemical Name:
4-(pyridin-4-yl)-1,2,4-triazolidine-3,5-dione
CAS Number:
1795457-36-1
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
MDL Number:
MFCD28118235
IUPAC Name:
4-pyridin-4-yl-1,2,4-triazolidine-3,5-dione
InChI:
InChI=1S/C7H6N4O2/c12-6-9-10-7(13)11(6)5-1-3-8-4-2-5/h1-4H,(H,9,12)(H,10,13)
InChI Key:
GLLPTOIEZFIHHC-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c(=O)n1c1ccncc1
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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