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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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).