3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one

C13H19N3O — CID 123908349

IUPAC3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one
SMILESCCN=C1CCC(c2n[nH]c(=O)cc2C)CC1
InChIInChI=1S/C13H19N3O/c1-3-14-11-6-4-10(5-7-11)13-9(2)8-12(17)15-16-13/h8,10H,3-7H2,1-2H3,(H,15,17)/b14-11-
InChIKeyQNAPTYVCWQIRFU-KAMYIIQDSA-N
MW233.31 g/mol
LogP2.20
Rot. Bonds2

About 3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one

3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one (PubChem CID 123908349) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one
PubChem CID123908349
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one
SMILESCCN=C1CCC(c2n[nH]c(=O)cc2C)CC1
InChIInChI=1S/C13H19N3O/c1-3-14-11-6-4-10(5-7-11)13-9(2)8-12(17)15-16-13/h8,10H,3-7H2,1-2H3,(H,15,17)/b14-11-
InChIKeyQNAPTYVCWQIRFU-KAMYIIQDSA-N
XLogP2.20
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.20
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 3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one?
The IUPAC name of 3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one (CID 123908349) is 3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one is CCN=C1CCC(c2n[nH]c(=O)cc2C)CC1.
What is the InChIKey of 3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one?
The InChIKey is QNAPTYVCWQIRFU-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-14-11-6-4-10(5-7-11)13-9(2)8-12(17)15-16-13/h8,10H,3-7H2,1-2H3,(H,15,17)/b14-11-.
What are the key properties of 3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one?
3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one has a molecular weight of 233.31 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyliminocyclohexyl)-4-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 123908349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).