3,4-Dihydroxy-1-(6-hydroxy-5-methyl-1,4-dihydropyrazin-2-yl)butan-2-one

HCID 320360

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 16745-06-5
Standard SMILES: CC1=C(O)NC(CC(=O)C(O)CO)=CN1
InChIKey: UYYPZFCBANPIGN-UHFFFAOYSA-N
Molecular formula: C9H14N2O4
Average molar mass: 214.22 g/mol
Monoisotopic mass: 214.09535693

Names & identifiers

Preferred name: 3,4-Dihydroxy-1-(6-hydroxy-5-methyl-1,4-dihydropyrazin-2-yl)butan-2-one
IUPAC: 3,4-dihydroxy-1-(6-hydroxy-5-methyl-1,4-dihydropyrazin-2-yl)butan-2-one

Names & synonyms

NSC26769216745-06-53,4-dihydroxy-1-(6-hydroxy-5-methyl-1,4-dihydropyrazin-2-yl)butan-2-oneDTXSID90313212NSC-267692DS-0039442-BUTANONE,1-(1,4-DIHYDRO-6-HYDROXY-5-METHYL-2-PYRAZINYL)-3,4-DIHYDROXY-

Database identifiers

CAS: 16745-06-5
PubChem CID: 320360
DTXSID: DTXSID90313212

Properties

Computed structural properties

XLogP: -1.1
Topological polar surface area: 102 Å²
Hydrogen bond donors: 5
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 322

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…