O-(1H-imidazol-2-ylmethyl)hydroxylamine

C4H7N3O — CID 23132361

IUPACO-(1H-imidazol-2-ylmethyl)hydroxylamine
SMILESNOCc1ncc[nH]1
InChIInChI=1S/C4H7N3O/c5-8-3-4-6-1-2-7-4/h1-2H,3,5H2,(H,6,7)
InChIKeyNJRGOYXZTDBHPR-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.20
Rot. Bonds2

About O-(1H-imidazol-2-ylmethyl)hydroxylamine

O-(1H-imidazol-2-ylmethyl)hydroxylamine (PubChem CID 23132361) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is O-(1H-imidazol-2-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameO-(1H-imidazol-2-ylmethyl)hydroxylamine
PubChem CID23132361
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC NameO-(1H-imidazol-2-ylmethyl)hydroxylamine
SMILESNOCc1ncc[nH]1
InChIInChI=1S/C4H7N3O/c5-8-3-4-6-1-2-7-4/h1-2H,3,5H2,(H,6,7)
InChIKeyNJRGOYXZTDBHPR-UHFFFAOYSA-N
XLogP-0.20
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 O-(1H-imidazol-2-ylmethyl)hydroxylamine?
The IUPAC name of O-(1H-imidazol-2-ylmethyl)hydroxylamine (CID 23132361) is O-(1H-imidazol-2-ylmethyl)hydroxylamine.
What is the SMILES notation for O-(1H-imidazol-2-ylmethyl)hydroxylamine?
The canonical SMILES for O-(1H-imidazol-2-ylmethyl)hydroxylamine is NOCc1ncc[nH]1.
What is the InChIKey of O-(1H-imidazol-2-ylmethyl)hydroxylamine?
The InChIKey is NJRGOYXZTDBHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c5-8-3-4-6-1-2-7-4/h1-2H,3,5H2,(H,6,7).
What are the key properties of O-(1H-imidazol-2-ylmethyl)hydroxylamine?
O-(1H-imidazol-2-ylmethyl)hydroxylamine has a molecular weight of 113.12 g/mol, XLogP of -0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1H-imidazol-2-ylmethyl)hydroxylamine is sourced from PubChem (CID 23132361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).