5-(butylideneamino)-4-methyl-1H-pyridazin-6-one

C9H13N3O — CID 126593740

IUPAC5-(butylideneamino)-4-methyl-1H-pyridazin-6-one
SMILESCCC/C=N/c1c(C)cn[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-3-4-5-10-8-7(2)6-11-12-9(8)13/h5-6H,3-4H2,1-2H3,(H,12,13)/b10-5+
InChIKeyRCBALOKCYWAKIZ-BJMVGYQFSA-N
MW179.22 g/mol
LogP1.58
Rot. Bonds3

About 5-(butylideneamino)-4-methyl-1H-pyridazin-6-one

5-(butylideneamino)-4-methyl-1H-pyridazin-6-one (PubChem CID 126593740) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 5-(butylideneamino)-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-(butylideneamino)-4-methyl-1H-pyridazin-6-one
PubChem CID126593740
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name5-(butylideneamino)-4-methyl-1H-pyridazin-6-one
SMILESCCC/C=N/c1c(C)cn[nH]c1=O
InChIInChI=1S/C9H13N3O/c1-3-4-5-10-8-7(2)6-11-12-9(8)13/h5-6H,3-4H2,1-2H3,(H,12,13)/b10-5+
InChIKeyRCBALOKCYWAKIZ-BJMVGYQFSA-N
XLogP1.58
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
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-(butylideneamino)-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 5-(butylideneamino)-4-methyl-1H-pyridazin-6-one (CID 126593740) is 5-(butylideneamino)-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 5-(butylideneamino)-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 5-(butylideneamino)-4-methyl-1H-pyridazin-6-one is CCC/C=N/c1c(C)cn[nH]c1=O.
What is the InChIKey of 5-(butylideneamino)-4-methyl-1H-pyridazin-6-one?
The InChIKey is RCBALOKCYWAKIZ-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H13N3O/c1-3-4-5-10-8-7(2)6-11-12-9(8)13/h5-6H,3-4H2,1-2H3,(H,12,13)/b10-5+.
What are the key properties of 5-(butylideneamino)-4-methyl-1H-pyridazin-6-one?
5-(butylideneamino)-4-methyl-1H-pyridazin-6-one has a molecular weight of 179.22 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butylideneamino)-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 126593740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).