O-(4-aminoquinazolin-2-yl)hydroxylamine

C8H8N4O — CID 58429334

IUPACO-(4-aminoquinazolin-2-yl)hydroxylamine
SMILESNOc1nc(N)c2ccccc2n1
InChIInChI=1S/C8H8N4O/c9-7-5-3-1-2-4-6(5)11-8(12-7)13-10/h1-4H,10H2,(H2,9,11,12)
InChIKeyHSAUJMNENFUSAL-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.46
Rot. Bonds1

About O-(4-aminoquinazolin-2-yl)hydroxylamine

O-(4-aminoquinazolin-2-yl)hydroxylamine (PubChem CID 58429334) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is O-(4-aminoquinazolin-2-yl)hydroxylamine.

Molecular Properties

Compound NameO-(4-aminoquinazolin-2-yl)hydroxylamine
PubChem CID58429334
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC NameO-(4-aminoquinazolin-2-yl)hydroxylamine
SMILESNOc1nc(N)c2ccccc2n1
InChIInChI=1S/C8H8N4O/c9-7-5-3-1-2-4-6(5)11-8(12-7)13-10/h1-4H,10H2,(H2,9,11,12)
InChIKeyHSAUJMNENFUSAL-UHFFFAOYSA-N
XLogP0.46
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.46
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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Frequently Asked Questions

What is the IUPAC name of O-(4-aminoquinazolin-2-yl)hydroxylamine?
The IUPAC name of O-(4-aminoquinazolin-2-yl)hydroxylamine (CID 58429334) is O-(4-aminoquinazolin-2-yl)hydroxylamine.
What is the SMILES notation for O-(4-aminoquinazolin-2-yl)hydroxylamine?
The canonical SMILES for O-(4-aminoquinazolin-2-yl)hydroxylamine is NOc1nc(N)c2ccccc2n1.
What is the InChIKey of O-(4-aminoquinazolin-2-yl)hydroxylamine?
The InChIKey is HSAUJMNENFUSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c9-7-5-3-1-2-4-6(5)11-8(12-7)13-10/h1-4H,10H2,(H2,9,11,12).
What are the key properties of O-(4-aminoquinazolin-2-yl)hydroxylamine?
O-(4-aminoquinazolin-2-yl)hydroxylamine has a molecular weight of 176.18 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-(4-aminoquinazolin-2-yl)hydroxylamine is sourced from PubChem (CID 58429334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).