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2-((2-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)amino)acetamide

HCID 403972
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Basic information

CAS
1093860-53-7
Standard SMILES
NC(=O)CNc1cnn(C2OC(CO)C(O)C2O)c(=O)n1
InChIKey
ONRDINHQRIKCDK-UHFFFAOYSA-N
Molecular formula
C10H15N5O6
Average molar mass
301.26 g/mol
Monoisotopic mass
301.10223322

Names & identifiers

Preferred name
2-((2-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)amino)acetamide
IUPAC
2-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]amino]acetamide

Names & synonyms

2-((2-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3-oxo-2,3-dihydro-1,2,4-triazin-5-yl)amino)acetamideNSC719920Oprea1_041816ZINC01662918AKOS002304576AKOS016323543NSC-7199201093860-53-72-[[2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl]amino]acetamideST50401861F3284-12422-({2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-oxo-1,2,4-triazin-5-yl}am ino)acetamide

Database identifiers

CAS
1093860-53-7
PubChem CID
403972

Properties

Computed structural properties

XLogP
-3.1
Topological polar surface area
170 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
21
Formal charge
0
Complexity
494

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