N-(1H-imidazol-5-ylmethyl)hydroxylamine

C4H7N3O — CID 82593547

IUPACN-(1H-imidazol-5-ylmethyl)hydroxylamine
SMILESONCc1cnc[nH]1
InChIInChI=1S/C4H7N3O/c8-7-2-4-1-5-3-6-4/h1,3,7-8H,2H2,(H,5,6)
InChIKeyQGHBVIYEGZHISQ-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.11
Rot. Bonds2

About N-(1H-imidazol-5-ylmethyl)hydroxylamine

N-(1H-imidazol-5-ylmethyl)hydroxylamine (PubChem CID 82593547) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)hydroxylamine
PubChem CID82593547
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC NameN-(1H-imidazol-5-ylmethyl)hydroxylamine
SMILESONCc1cnc[nH]1
InChIInChI=1S/C4H7N3O/c8-7-2-4-1-5-3-6-4/h1,3,7-8H,2H2,(H,5,6)
InChIKeyQGHBVIYEGZHISQ-UHFFFAOYSA-N
XLogP-0.11
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
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 N-(1H-imidazol-5-ylmethyl)hydroxylamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)hydroxylamine (CID 82593547) is N-(1H-imidazol-5-ylmethyl)hydroxylamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)hydroxylamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)hydroxylamine is ONCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)hydroxylamine?
The InChIKey is QGHBVIYEGZHISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O/c8-7-2-4-1-5-3-6-4/h1,3,7-8H,2H2,(H,5,6).
What are the key properties of N-(1H-imidazol-5-ylmethyl)hydroxylamine?
N-(1H-imidazol-5-ylmethyl)hydroxylamine has a molecular weight of 113.12 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)hydroxylamine is sourced from PubChem (CID 82593547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).