3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one

C4H7N3O2 — CID 55287338

IUPAC3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one
SMILESO=C1CN=C(NO)CN1
InChIInChI=1S/C4H7N3O2/c8-4-2-5-3(7-9)1-6-4/h9H,1-2H2,(H,5,7)(H,6,8)
InChIKeyFFJZCMVTSVNSES-UHFFFAOYSA-N
MW129.12 g/mol
LogP-1.51
Rot. Bonds

About 3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one

3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one (PubChem CID 55287338) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is 3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one.

Molecular Properties

Compound Name3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one
PubChem CID55287338
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC Name3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one
SMILESO=C1CN=C(NO)CN1
InChIInChI=1S/C4H7N3O2/c8-4-2-5-3(7-9)1-6-4/h9H,1-2H2,(H,5,7)(H,6,8)
InChIKeyFFJZCMVTSVNSES-UHFFFAOYSA-N
XLogP-1.51
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one?
The IUPAC name of 3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one (CID 55287338) is 3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one.
What is the SMILES notation for 3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one?
The canonical SMILES for 3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one is O=C1CN=C(NO)CN1.
What is the InChIKey of 3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one?
The InChIKey is FFJZCMVTSVNSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c8-4-2-5-3(7-9)1-6-4/h9H,1-2H2,(H,5,7)(H,6,8).
What are the key properties of 3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one?
3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one has a molecular weight of 129.12 g/mol, XLogP of -1.51, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxyamino)-2,5-dihydro-1H-pyrazin-6-one is sourced from PubChem (CID 55287338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).