5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one

C14H26N4O — CID 114394971

IUPAC5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
SMILESCCCNCCCn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C14H26N4O/c1-4-8-15-9-7-10-18-14(19)11-13(12-16-18)17(5-2)6-3/h11-12,15H,4-10H2,1-3H3
InChIKeyWFQWHVZWJUWRJF-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.48
Rot. Bonds9

About 5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one

5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one (PubChem CID 114394971) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
PubChem CID114394971
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
SMILESCCCNCCCn1ncc(N(CC)CC)cc1=O
InChIInChI=1S/C14H26N4O/c1-4-8-15-9-7-10-18-14(19)11-13(12-16-18)17(5-2)6-3/h11-12,15H,4-10H2,1-3H3
InChIKeyWFQWHVZWJUWRJF-UHFFFAOYSA-N
XLogP1.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one (CID 114394971) is 5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one is CCCNCCCn1ncc(N(CC)CC)cc1=O.
What is the InChIKey of 5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one?
The InChIKey is WFQWHVZWJUWRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-8-15-9-7-10-18-14(19)11-13(12-16-18)17(5-2)6-3/h11-12,15H,4-10H2,1-3H3.
What are the key properties of 5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one?
5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one has a molecular weight of 266.39 g/mol, XLogP of 1.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 114394971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).