2-(hydroxyamino)-1H-pyrimidin-6-one

C4H5N3O2 — CID 581456

IUPAC2-(hydroxyamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NO)[nH]1
InChIInChI=1S/C4H5N3O2/c8-3-1-2-5-4(6-3)7-9/h1-2,9H,(H2,5,6,7,8)
InChIKeyQLHOXIDCXZUEHZ-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.43
Rot. Bonds1

About 2-(hydroxyamino)-1H-pyrimidin-6-one

2-(hydroxyamino)-1H-pyrimidin-6-one (PubChem CID 581456) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 2-(hydroxyamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(hydroxyamino)-1H-pyrimidin-6-one
PubChem CID581456
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name2-(hydroxyamino)-1H-pyrimidin-6-one
SMILESO=c1ccnc(NO)[nH]1
InChIInChI=1S/C4H5N3O2/c8-3-1-2-5-4(6-3)7-9/h1-2,9H,(H2,5,6,7,8)
InChIKeyQLHOXIDCXZUEHZ-UHFFFAOYSA-N
XLogP-0.43
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(hydroxyamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(hydroxyamino)-1H-pyrimidin-6-one (CID 581456) is 2-(hydroxyamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(hydroxyamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(hydroxyamino)-1H-pyrimidin-6-one is O=c1ccnc(NO)[nH]1.
What is the InChIKey of 2-(hydroxyamino)-1H-pyrimidin-6-one?
The InChIKey is QLHOXIDCXZUEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c8-3-1-2-5-4(6-3)7-9/h1-2,9H,(H2,5,6,7,8).
What are the key properties of 2-(hydroxyamino)-1H-pyrimidin-6-one?
2-(hydroxyamino)-1H-pyrimidin-6-one has a molecular weight of 127.10 g/mol, XLogP of -0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 581456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).