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88002-30-6 | 1,2,4-Oxadiazol-5(2H)-one, 3-(2-pyrimidinylamino)-
CAS No: 88002-30-6 Catalog No: AG004H0X MDL No:
Product Description
Catalog Number:
AG004H0X
Chemical Name:
1,2,4-Oxadiazol-5(2H)-one, 3-(2-pyrimidinylamino)-
CAS Number:
88002-30-6
Molecular Formula:
C6H5N5O2
Molecular Weight:
179.1362
IUPAC Name:
3-(pyrimidin-2-ylamino)-4H-1,2,4-oxadiazol-5-one
InChI:
InChI=1S/C6H5N5O2/c12-6-10-5(11-13-6)9-4-7-2-1-3-8-4/h1-3H,(H2,7,8,9,10,11,12)
InChI Key:
FENRDPKDFOVENI-UHFFFAOYSA-N
SMILES:
O=c1o[nH]c(n1)Nc1ncccn1
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
179.139g/mol
Monoisotopic Mass:
179.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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