2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one

C6H9N3O4 — CID 178058110

IUPAC2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CON(O)O)n1
InChIInChI=1S/C6H9N3O4/c1-5-2-3-6(10)8(7-5)4-13-9(11)12/h2-3,11-12H,4H2,1H3
InChIKeyCLIUVLRPMGQQCX-UHFFFAOYSA-N
MW187.16 g/mol
LogP-0.48
Rot. Bonds3

About 2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one

2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one (PubChem CID 178058110) has the molecular formula C6H9N3O4 and a molecular weight of 187.16 g/mol. Its IUPAC name is 2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one
PubChem CID178058110
Molecular FormulaC6H9N3O4
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CON(O)O)n1
InChIInChI=1S/C6H9N3O4/c1-5-2-3-6(10)8(7-5)4-13-9(11)12/h2-3,11-12H,4H2,1H3
InChIKeyCLIUVLRPMGQQCX-UHFFFAOYSA-N
XLogP-0.48
TPSA87.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one (CID 178058110) is 2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CON(O)O)n1.
What is the InChIKey of 2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one?
The InChIKey is CLIUVLRPMGQQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4/c1-5-2-3-6(10)8(7-5)4-13-9(11)12/h2-3,11-12H,4H2,1H3.
What are the key properties of 2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one?
2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one has a molecular weight of 187.16 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dihydroxyamino)oxymethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 178058110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).