O-(1H-imidazol-5-yloxy)hydroxylamine

C3H5N3O2 — CID 54272606

IUPACO-(1H-imidazol-5-yloxy)hydroxylamine
SMILESNOOc1cnc[nH]1
InChIInChI=1S/C3H5N3O2/c4-8-7-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)
InChIKeyRLFDRLCMWGSOEC-UHFFFAOYSA-N
MW115.09 g/mol
LogP-0.41
Rot. Bonds2

About O-(1H-imidazol-5-yloxy)hydroxylamine

O-(1H-imidazol-5-yloxy)hydroxylamine (PubChem CID 54272606) has the molecular formula C3H5N3O2 and a molecular weight of 115.09 g/mol. Its IUPAC name is O-(1H-imidazol-5-yloxy)hydroxylamine.

Molecular Properties

Compound NameO-(1H-imidazol-5-yloxy)hydroxylamine
PubChem CID54272606
Molecular FormulaC3H5N3O2
Molecular Weight115.09 g/mol
Exact Mass115.04
IUPAC NameO-(1H-imidazol-5-yloxy)hydroxylamine
SMILESNOOc1cnc[nH]1
InChIInChI=1S/C3H5N3O2/c4-8-7-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)
InChIKeyRLFDRLCMWGSOEC-UHFFFAOYSA-N
XLogP-0.41
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-imidazol-4-ol
CID 18377217
4-methoxy-1H-imidazole
CID 13144653
Hydroxy methylimidazole
CID 21622656
2-Imino-5-oxydihydroimidazol
CID 14094186
Hydroxy-nitroimidazole
CID 19855287
2-(5-hydroxy-1H-imidazol-2-yl)guanidine
CID 123683628
4-Hydroxyimidazolium chloride
CID 157270254
4-(Trifluoromethoxy)-1H-imidazole
CID 53670597
4-(Difluoromethoxy)-1H-imidazole
CID 118818229
1H-imidazol-5-yl trifluoromethanesulfonate
CID 149996336
1h-Imidazol-5-yl-methylsulfinate
CID 129754423
2-(fluoromethyl)-1H-imidazol-5-ol
CID 84762079

Frequently Asked Questions

What is the IUPAC name of O-(1H-imidazol-5-yloxy)hydroxylamine?
The IUPAC name of O-(1H-imidazol-5-yloxy)hydroxylamine (CID 54272606) is O-(1H-imidazol-5-yloxy)hydroxylamine.
What is the SMILES notation for O-(1H-imidazol-5-yloxy)hydroxylamine?
The canonical SMILES for O-(1H-imidazol-5-yloxy)hydroxylamine is NOOc1cnc[nH]1.
What is the InChIKey of O-(1H-imidazol-5-yloxy)hydroxylamine?
The InChIKey is RLFDRLCMWGSOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O2/c4-8-7-3-1-5-2-6-3/h1-2H,4H2,(H,5,6).
What are the key properties of O-(1H-imidazol-5-yloxy)hydroxylamine?
O-(1H-imidazol-5-yloxy)hydroxylamine has a molecular weight of 115.09 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1H-imidazol-5-yloxy)hydroxylamine is sourced from PubChem (CID 54272606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).