5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one

C6H7N3O2 — CID 135766905

IUPAC5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one
SMILESCC(=NO)c1ccn[nH]c1=O
InChIInChI=1S/C6H7N3O2/c1-4(9-11)5-2-3-7-8-6(5)10/h2-3,11H,1H3,(H,8,10)
InChIKeyILEZMQUCZPQEDI-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.03
Rot. Bonds1

About 5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one

5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one (PubChem CID 135766905) has the molecular formula C6H7N3O2 and a molecular weight of 153.14 g/mol. Its IUPAC name is 5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one
PubChem CID135766905
Molecular FormulaC6H7N3O2
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Name5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one
SMILESCC(=NO)c1ccn[nH]c1=O
InChIInChI=1S/C6H7N3O2/c1-4(9-11)5-2-3-7-8-6(5)10/h2-3,11H,1H3,(H,8,10)
InChIKeyILEZMQUCZPQEDI-UHFFFAOYSA-N
XLogP-0.03
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one
CID 135816733
3-(6-oxo-1H-pyridazin-5-yl)-1H-pyridazin-6-one
CID 20194924
4-Ethylpyridazin-3(2H)-one
CID 54400400
5-ethanimidoyl-4-methyl-1H-pyridazin-6-one
CID 137200145
2,7-Dihydropyrazolo[3,4-c]pyridin-3-one
CID 175216469
4-[(E)-N-hydroxy-C-methylcarbonimidoyl]-2-methylpyridazin-3-one
CID 135816734
4-(1-(Hydroxyimino)ethyl)pyridazin-3(2H)-one
CID 136631889
5-ethyl-3-[(E)-hydrazinylidenemethyl]-1H-pyridazin-6-one
CID 177517490

Frequently Asked Questions

What is the IUPAC name of 5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one?
The IUPAC name of 5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one (CID 135766905) is 5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one is CC(=NO)c1ccn[nH]c1=O.
What is the InChIKey of 5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one?
The InChIKey is ILEZMQUCZPQEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O2/c1-4(9-11)5-2-3-7-8-6(5)10/h2-3,11H,1H3,(H,8,10).
What are the key properties of 5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one?
5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one has a molecular weight of 153.14 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-hydroxy-C-methylcarbonimidoyl)-1H-pyridazin-6-one is sourced from PubChem (CID 135766905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).