5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one

C15H28N4O — CID 114397706

IUPAC5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one
SMILESCCC(CC)NCCn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C15H28N4O/c1-5-13(6-2)16-9-10-19-15(20)11-14(12-17-19)18(7-3)8-4/h11-13,16H,5-10H2,1-4H3
InChIKeyUWMCGEKUPWQONZ-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.87
Rot. Bonds9

About 5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one

5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one (PubChem CID 114397706) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one
PubChem CID114397706
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one
SMILESCCC(CC)NCCn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C15H28N4O/c1-5-13(6-2)16-9-10-19-15(20)11-14(12-17-19)18(7-3)8-4/h11-13,16H,5-10H2,1-4H3
InChIKeyUWMCGEKUPWQONZ-UHFFFAOYSA-N
XLogP1.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 114394941
2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394906
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
5-(diethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397680
5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394971
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114397665
5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397688
5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one
CID 114399063
2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile
CID 114395707
2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
2-[2-(chloromethyl)prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103065887

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one (CID 114397706) is 5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one is CCC(CC)NCCn1ncc(N(CC)CC)cc1=O.
What is the InChIKey of 5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one?
The InChIKey is UWMCGEKUPWQONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-5-13(6-2)16-9-10-19-15(20)11-14(12-17-19)18(7-3)8-4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one?
5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one has a molecular weight of 280.42 g/mol, XLogP of 1.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114397706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).