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

C14H26N4O — CID 114394941

IUPAC5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(CCCNC(C)C)c(=O)c1
InChIInChI=1S/C14H26N4O/c1-5-17(6-2)13-10-14(19)18(16-11-13)9-7-8-15-12(3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyZNJUOJPPGRQXSJ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.48
Rot. Bonds8

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

5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one (PubChem CID 114394941) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
PubChem CID114394941
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
SMILESCCN(CC)c1cnn(CCCNC(C)C)c(=O)c1
InChIInChI=1S/C14H26N4O/c1-5-17(6-2)13-10-14(19)18(16-11-13)9-7-8-15-12(3)4/h10-12,15H,5-9H2,1-4H3
InChIKeyZNJUOJPPGRQXSJ-UHFFFAOYSA-N
XLogP1.48
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
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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Related Compounds

5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394971
5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one
CID 114397706
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
5-(diethylamino)-2-(3-methyl-5-sulfanylpentyl)pyridazin-3-one
CID 114399063
2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394906
5-(diethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397680
2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114397665
2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
CID 114395947
2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394811
5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397688

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one (CID 114394941) is 5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one is CCN(CC)c1cnn(CCCNC(C)C)c(=O)c1.
What is the InChIKey of 5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one?
The InChIKey is ZNJUOJPPGRQXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-17(6-2)13-10-14(19)18(16-11-13)9-7-8-15-12(3)4/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one?
5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one has a molecular weight of 266.39 g/mol, XLogP of 1.48, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 114394941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).