4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one

C13H24N4O — CID 102999184

IUPAC4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one
SMILESCCN(CC)CCCN(CC)c1cn[nH]c(=O)c1
InChIInChI=1S/C13H24N4O/c1-4-16(5-2)8-7-9-17(6-3)12-10-13(18)15-14-11-12/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyAQSLYZSSCDBIIY-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.33
Rot. Bonds8

About 4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one

4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one (PubChem CID 102999184) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one
PubChem CID102999184
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one
SMILESCCN(CC)CCCN(CC)c1cn[nH]c(=O)c1
InChIInChI=1S/C13H24N4O/c1-4-16(5-2)8-7-9-17(6-3)12-10-13(18)15-14-11-12/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyAQSLYZSSCDBIIY-UHFFFAOYSA-N
XLogP1.33
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one
CID 28065109
5-(1-Methylhydrazinyl)pyridazin-3(2H)-one
CID 13417077
4-[methyl(propylamino)amino]-1H-pyridazin-6-one
CID 134895673
4-[methyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one
CID 114393072
4-[ethyl(2,2,2-trifluoroethyl)amino]-1H-pyridazin-6-one
CID 114393081
4-[methyl(3,3,3-trifluoropropyl)amino]-1H-pyridazin-6-one
CID 114393180
4-[2,2-difluoroethyl(methyl)amino]-1H-pyridazin-6-one
CID 114393220
5-[(2,2-Difluoropropyl)(methyl)amino]-2,3-dihydropyridazin-3-one
CID 164653012
5-[3-Diethylaminopropylamino]-3(2H)-pyridazone
CID 559590
5-(1-Piperidinyl)-3(2H)-pyridazinone
CID 13103623
5-(Dimethylamino)-3(2H)-pyridazinone
CID 13103624
5-(4-methylpiperazino)-3(2H)-pyridazinone
CID 54775541

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one (CID 102999184) is 4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one is CCN(CC)CCCN(CC)c1cn[nH]c(=O)c1.
What is the InChIKey of 4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one?
The InChIKey is AQSLYZSSCDBIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-16(5-2)8-7-9-17(6-3)12-10-13(18)15-14-11-12/h10-11H,4-9H2,1-3H3,(H,15,18).
What are the key properties of 4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one?
4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one has a molecular weight of 252.36 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propyl-ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 102999184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).