O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine

C11H14N4O — CID 174376686

IUPACO-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine
SMILESNOCCCn1cnc(-c2cccnc2)c1
InChIInChI=1S/C11H14N4O/c12-16-6-2-5-15-8-11(14-9-15)10-3-1-4-13-7-10/h1,3-4,7-9H,2,5-6,12H2
InChIKeyHRZUYZUMJMFZJO-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.23
Rot. Bonds5

About O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine

O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine (PubChem CID 174376686) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine.

Molecular Properties

Compound NameO-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine
PubChem CID174376686
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameO-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine
SMILESNOCCCn1cnc(-c2cccnc2)c1
InChIInChI=1S/C11H14N4O/c12-16-6-2-5-15-8-11(14-9-15)10-3-1-4-13-7-10/h1,3-4,7-9H,2,5-6,12H2
InChIKeyHRZUYZUMJMFZJO-UHFFFAOYSA-N
XLogP1.23
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine?
The IUPAC name of O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine (CID 174376686) is O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine.
What is the SMILES notation for O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine?
The canonical SMILES for O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine is NOCCCn1cnc(-c2cccnc2)c1.
What is the InChIKey of O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine?
The InChIKey is HRZUYZUMJMFZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c12-16-6-2-5-15-8-11(14-9-15)10-3-1-4-13-7-10/h1,3-4,7-9H,2,5-6,12H2.
What are the key properties of O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine?
O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine has a molecular weight of 218.26 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[3-(4-pyridin-3-ylimidazol-1-yl)propyl]hydroxylamine is sourced from PubChem (CID 174376686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).