2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one

C15H24N4O2 — CID 72935499

IUPAC2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2CCCCCCC2)c(=O)c1
InChIInChI=1S/C15H24N4O2/c1-17(2)13-10-14(20)19(16-11-13)12-15(21)18-8-6-4-3-5-7-9-18/h10-11H,3-9,12H2,1-2H3
InChIKeyPEDLNKRCFIVISW-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.10
Rot. Bonds3

About 2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one

2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one (PubChem CID 72935499) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one
PubChem CID72935499
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one
SMILESCN(C)c1cnn(CC(=O)N2CCCCCCC2)c(=O)c1
InChIInChI=1S/C15H24N4O2/c1-17(2)13-10-14(20)19(16-11-13)12-15(21)18-8-6-4-3-5-7-9-18/h10-11H,3-9,12H2,1-2H3
InChIKeyPEDLNKRCFIVISW-UHFFFAOYSA-N
XLogP1.10
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one (CID 72935499) is 2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one is CN(C)c1cnn(CC(=O)N2CCCCCCC2)c(=O)c1.
What is the InChIKey of 2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one?
The InChIKey is PEDLNKRCFIVISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17(2)13-10-14(20)19(16-11-13)12-15(21)18-8-6-4-3-5-7-9-18/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one?
2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one has a molecular weight of 292.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(azocan-1-yl)-2-oxoethyl]-5-(dimethylamino)pyridazin-3-one is sourced from PubChem (CID 72935499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).