5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide

C6H11N3O3 — CID 144967666

IUPAC5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide
SMILESCO[NH+]([O-])c1ncc(CO)n1C
InChIInChI=1S/C6H11N3O3/c1-8-5(4-10)3-7-6(8)9(11)12-2/h3,9-10H,4H2,1-2H3
InChIKeyXDBJFKGXFYXBPX-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.51
Rot. Bonds3

About 5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide

5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide (PubChem CID 144967666) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide
PubChem CID144967666
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Name5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide
SMILESCO[NH+]([O-])c1ncc(CO)n1C
InChIInChI=1S/C6H11N3O3/c1-8-5(4-10)3-7-6(8)9(11)12-2/h3,9-10H,4H2,1-2H3
InChIKeyXDBJFKGXFYXBPX-UHFFFAOYSA-N
XLogP-1.51
TPSA74.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-3-methylimidazol-4-yl)methanol
CID 59589424
(2-amino-3-methylimidazol-4-yl)methanol
CID 53411272
5-(hydroxymethyl)-1-methylimidazole-2-carboxylic acid
CID 117192886
[2-(3-methoxypropylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 66149420
[2-[(6-methoxy-3-nitro-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol
CID 115323202
[2-(2-chloroprop-2-enylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 66150655
(5-methoxyimidazo[1,2-a]pyridin-3-yl)methanol
CID 105437420
(3-methyl-2-pentylsulfanylimidazol-4-yl)methanol
CID 66152109
[2-(5-fluoropyrimidin-2-yl)sulfanyl-3-methylimidazol-4-yl]methanol
CID 104606281
4-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-N-methylbenzenesulfonamide
CID 66150499
[3-methyl-2-(3,3,3-trifluoropropylsulfanyl)imidazol-4-yl]methanol
CID 66149423
[3-methyl-2-(pyrazol-1-ylmethylsulfanyl)imidazol-4-yl]methanol
CID 107421679

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide?
The IUPAC name of 5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide (CID 144967666) is 5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide.
What is the SMILES notation for 5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide?
The canonical SMILES for 5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide is CO[NH+]([O-])c1ncc(CO)n1C.
What is the InChIKey of 5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide?
The InChIKey is XDBJFKGXFYXBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-8-5(4-10)3-7-6(8)9(11)12-2/h3,9-10H,4H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide?
5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide has a molecular weight of 173.17 g/mol, XLogP of -1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-methoxy-1-methylimidazol-2-amine oxide is sourced from PubChem (CID 144967666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).