1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide

C6H11N3O4 — CID 23619072

IUPAC1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide
SMILES[O-][NH+](O)c1nccn1CC(O)CO
InChIInChI=1S/C6H11N3O4/c10-4-5(11)3-8-2-1-7-6(8)9(12)13/h1-2,5,9-12H,3-4H2
InChIKeyYUCJLSYFXANPNE-UHFFFAOYSA-N
MW189.17 g/mol
LogP-2.36
Rot. Bonds4

About 1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide

1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide (PubChem CID 23619072) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide
PubChem CID23619072
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide
SMILES[O-][NH+](O)c1nccn1CC(O)CO
InChIInChI=1S/C6H11N3O4/c10-4-5(11)3-8-2-1-7-6(8)9(12)13/h1-2,5,9-12H,3-4H2
InChIKeyYUCJLSYFXANPNE-UHFFFAOYSA-N
XLogP-2.36
TPSA106.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(2-nitroimidazol-1-yl)propane-1,2-diol
CID 76966824
3-chloro-1-(2,3-dihydroxypropyl)pyrazin-2-one
CID 114561672
1-[(2R)-2,3-dihydroxypropyl]pyrimidin-2-one
CID 130130720
3-[2-(4-bromophenyl)imidazol-1-yl]propane-1,2-diol
CID 82560779
3-[2-[(2-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
CID 82560016
3-[2-(3-chlorophenyl)imidazol-1-yl]propane-1,2-diol
CID 82560593
3-[2-[(3-chlorophenyl)methyl]imidazol-1-yl]propane-1,2-diol
CID 82559996
(2S)-1-(aziridin-1-yl)-3-(2-nitroimidazol-1-yl)propan-2-ol
CID 54146711
N-hydroxy-3-[2-[4-[2-[hydroxy(oxido)azaniumyl]imidazol-1-yl]butylamino]ethyl]-2-methylimidazol-4-amine oxide;hydrochloride
CID 21142813
1-[1-(2,3-dihydroxypropyl)-2-methylpyrrol-3-yl]ethanone
CID 84616703
1-(2-methylimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 109411165
1-(ethylamino)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 43165910

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide?
The IUPAC name of 1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide (CID 23619072) is 1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide is [O-][NH+](O)c1nccn1CC(O)CO.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide?
The InChIKey is YUCJLSYFXANPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c10-4-5(11)3-8-2-1-7-6(8)9(12)13/h1-2,5,9-12H,3-4H2.
What are the key properties of 1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide?
1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide has a molecular weight of 189.17 g/mol, XLogP of -2.36, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-N-hydroxyimidazol-2-amine oxide is sourced from PubChem (CID 23619072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).