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

C11H20N4O — CID 559590

IUPAC4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one
SMILESCCN(CC)CCCNc1cn[nH]c(=O)c1
InChIInChI=1S/C11H20N4O/c1-3-15(4-2)7-5-6-12-10-8-11(16)14-13-9-10/h8-9H,3-7H2,1-2H3,(H2,12,14,16)
InChIKeyOPPLYODOQARVLY-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.91
Rot. Bonds7

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

4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one (PubChem CID 559590) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one
PubChem CID559590
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one
SMILESCCN(CC)CCCNc1cn[nH]c(=O)c1
InChIInChI=1S/C11H20N4O/c1-3-15(4-2)7-5-6-12-10-8-11(16)14-13-9-10/h8-9H,3-7H2,1-2H3,(H2,12,14,16)
InChIKeyOPPLYODOQARVLY-UHFFFAOYSA-N
XLogP0.91
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-{[3-(dimethylamino)propyl]amino}-3(2H)-pyridazinone
CID 546968
5-(Methylamino)-2,3-dihydropyridazin-3-one
CID 21691755
5-(Pyrrolidin-1-yl)-2,3-dihydropyridazin-3-one
CID 28065109
5-(1-Methylhydrazinyl)pyridazin-3(2H)-one
CID 13417077
5-(Piperazin-1-yl)pyridazin-3(2H)-one
CID 17976142
4-[methyl(propylamino)amino]-1H-pyridazin-6-one
CID 134895673
4-(4,4,4-trifluorobutan-2-ylamino)-1H-pyridazin-6-one
CID 105936161
4-(3,3,3-trifluoropropylamino)-1H-pyridazin-6-one
CID 114392180
4-(4,4,4-trifluorobutylamino)-1H-pyridazin-6-one
CID 114392389
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-fluoroethylamino)-1H-pyridazin-6-one
CID 133666828

Frequently Asked Questions

What is the IUPAC name of 4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one?
The IUPAC name of 4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one (CID 559590) is 4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one?
The canonical SMILES for 4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one is CCN(CC)CCCNc1cn[nH]c(=O)c1.
What is the InChIKey of 4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one?
The InChIKey is OPPLYODOQARVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-15(4-2)7-5-6-12-10-8-11(16)14-13-9-10/h8-9H,3-7H2,1-2H3,(H2,12,14,16).
What are the key properties of 4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one?
4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one has a molecular weight of 224.31 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(diethylamino)propylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 559590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).