4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one

C7H9N3O2 — CID 135816733

IUPAC4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one
SMILESC/C(=N/O)c1ccnn(C)c1=O
InChIInChI=1S/C7H9N3O2/c1-5(9-12)6-3-4-8-10(2)7(6)11/h3-4,12H,1-2H3/b9-5-
InChIKeyGWKRTWJKBJFSIU-UITAMQMPSA-N
MW167.17 g/mol
LogP-0.02
Rot. Bonds1

About 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one

4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one (PubChem CID 135816733) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one
PubChem CID135816733
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one
SMILESC/C(=N/O)c1ccnn(C)c1=O
InChIInChI=1S/C7H9N3O2/c1-5(9-12)6-3-4-8-10(2)7(6)11/h3-4,12H,1-2H3/b9-5-
InChIKeyGWKRTWJKBJFSIU-UITAMQMPSA-N
XLogP-0.02
TPSA67.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-Ethylidene-2,5-dimethylpyrazol-3-one
CID 22950815
4-Ethyl-2-methylpyridazin-3-one
CID 89563038
4-Acetyl-2-methylpyridazin-3-one
CID 172377121
(4E)-4-ethylidene-2,5-dimethylpyrazol-3-one
CID 20764738
5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one
CID 135766905
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one
CID 135816734
4-(1-(Hydroxyimino)ethyl)pyridazin-3(2H)-one
CID 136631889

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one?
The IUPAC name of 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one (CID 135816733) is 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one is C/C(=N/O)c1ccnn(C)c1=O.
What is the InChIKey of 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one?
The InChIKey is GWKRTWJKBJFSIU-UITAMQMPSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5(9-12)6-3-4-8-10(2)7(6)11/h3-4,12H,1-2H3/b9-5-.
What are the key properties of 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one?
4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one has a molecular weight of 167.17 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 135816733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).