5-ethanimidoyl-4-methyl-1H-pyridazin-6-one

C7H9N3O — CID 137200145

IUPAC5-ethanimidoyl-4-methyl-1H-pyridazin-6-one
SMILES[H]/N=C(\C)c1c(C)cn[nH]c1=O
InChIInChI=1S/C7H9N3O/c1-4-3-9-10-7(11)6(4)5(2)8/h3,8H,1-2H3,(H,10,11)/b8-5+
InChIKeySWWUHRGMTVHXPT-VMPITWQZSA-N
MW151.17 g/mol
LogP0.47
Rot. Bonds1

About 5-ethanimidoyl-4-methyl-1H-pyridazin-6-one

5-ethanimidoyl-4-methyl-1H-pyridazin-6-one (PubChem CID 137200145) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 5-ethanimidoyl-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-ethanimidoyl-4-methyl-1H-pyridazin-6-one
PubChem CID137200145
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name5-ethanimidoyl-4-methyl-1H-pyridazin-6-one
SMILES[H]/N=C(\C)c1c(C)cn[nH]c1=O
InChIInChI=1S/C7H9N3O/c1-4-3-9-10-7(11)6(4)5(2)8/h3,8H,1-2H3,(H,10,11)/b8-5+
InChIKeySWWUHRGMTVHXPT-VMPITWQZSA-N
XLogP0.47
TPSA69.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethanimidoyl-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-ethanimidoyl-4-methyl-1H-pyridazin-6-one (CID 137200145) is 5-ethanimidoyl-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-ethanimidoyl-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-ethanimidoyl-4-methyl-1H-pyridazin-6-one is [H]/N=C(\C)c1c(C)cn[nH]c1=O.
What is the InChIKey of 5-ethanimidoyl-4-methyl-1H-pyridazin-6-one?
The InChIKey is SWWUHRGMTVHXPT-VMPITWQZSA-N. The full InChI is InChI=1S/C7H9N3O/c1-4-3-9-10-7(11)6(4)5(2)8/h3,8H,1-2H3,(H,10,11)/b8-5+.
What are the key properties of 5-ethanimidoyl-4-methyl-1H-pyridazin-6-one?
5-ethanimidoyl-4-methyl-1H-pyridazin-6-one has a molecular weight of 151.17 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethanimidoyl-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 137200145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).