N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide

C6H11N3O3 — CID 163154944

IUPACN-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide
SMILESCc1ncc([NH+]([O-])O)n1CCO
InChIInChI=1S/C6H11N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,9-11H,2-3H2,1H3
InChIKeyOTBBIHPVWFZWSW-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.41
Rot. Bonds3

About N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide

N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide (PubChem CID 163154944) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide.

Molecular Properties

Compound NameN-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide
PubChem CID163154944
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC NameN-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide
SMILESCc1ncc([NH+]([O-])O)n1CCO
InChIInChI=1S/C6H11N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,9-11H,2-3H2,1H3
InChIKeyOTBBIHPVWFZWSW-UHFFFAOYSA-N
XLogP-1.41
TPSA85.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide?
The IUPAC name of N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide (CID 163154944) is N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide.
What is the SMILES notation for N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide?
The canonical SMILES for N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide is Cc1ncc([NH+]([O-])O)n1CCO.
What is the InChIKey of N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide?
The InChIKey is OTBBIHPVWFZWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-5-7-4-6(9(11)12)8(5)2-3-10/h4,9-11H,2-3H2,1H3.
What are the key properties of N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide?
N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide has a molecular weight of 173.17 g/mol, XLogP of -1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-(2-hydroxyethyl)-2-methylimidazol-4-amine oxide is sourced from PubChem (CID 163154944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).