4-(4-propylazepan-1-yl)-1H-pyridazin-6-one

C13H21N3O — CID 114393178

IUPAC4-(4-propylazepan-1-yl)-1H-pyridazin-6-one
SMILESCCCC1CCCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C13H21N3O/c1-2-4-11-5-3-7-16(8-6-11)12-9-13(17)15-14-10-12/h9-11H,2-8H2,1H3,(H,15,17)
InChIKeyZMWAIEFIJDYJHY-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.18
Rot. Bonds3

About 4-(4-propylazepan-1-yl)-1H-pyridazin-6-one

4-(4-propylazepan-1-yl)-1H-pyridazin-6-one (PubChem CID 114393178) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(4-propylazepan-1-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(4-propylazepan-1-yl)-1H-pyridazin-6-one
PubChem CID114393178
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name4-(4-propylazepan-1-yl)-1H-pyridazin-6-one
SMILESCCCC1CCCN(c2cn[nH]c(=O)c2)CC1
InChIInChI=1S/C13H21N3O/c1-2-4-11-5-3-7-16(8-6-11)12-9-13(17)15-14-10-12/h9-11H,2-8H2,1H3,(H,15,17)
InChIKeyZMWAIEFIJDYJHY-UHFFFAOYSA-N
XLogP2.18
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 114393138
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1H-pyridazin-6-one
CID 107229402
3-cyclopentyl-N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]propanamide
CID 91911745
4-[3-(dimethylamino)piperidin-1-yl]-1H-pyridazin-6-one
CID 114393186
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996
1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 114393008
1-[5-(4-propylazepan-1-yl)-2-pyridinyl]ethanone
CID 83118890
4-[4-(6-ethyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
CID 50970168
ethyl 4-[1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carbonyl]piperazine-1-carboxylate
CID 53203769
N-cyclopropyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203801
2-methyl-6-(4-propylazepan-1-yl)-1,2,3,4-tetrahydroquinoline
CID 81218537
(3R)-N-(2-methoxyethyl)-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 95115370

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylazepan-1-yl)-1H-pyridazin-6-one?
The IUPAC name of 4-(4-propylazepan-1-yl)-1H-pyridazin-6-one (CID 114393178) is 4-(4-propylazepan-1-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(4-propylazepan-1-yl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(4-propylazepan-1-yl)-1H-pyridazin-6-one is CCCC1CCCN(c2cn[nH]c(=O)c2)CC1.
What is the InChIKey of 4-(4-propylazepan-1-yl)-1H-pyridazin-6-one?
The InChIKey is ZMWAIEFIJDYJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-4-11-5-3-7-16(8-6-11)12-9-13(17)15-14-10-12/h9-11H,2-8H2,1H3,(H,15,17).
What are the key properties of 4-(4-propylazepan-1-yl)-1H-pyridazin-6-one?
4-(4-propylazepan-1-yl)-1H-pyridazin-6-one has a molecular weight of 235.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylazepan-1-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 114393178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).