2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one

C12H20ClN3O — CID 114394352

IUPAC2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCCCCl)c(=O)c1
InChIInChI=1S/C12H20ClN3O/c1-3-15(4-2)11-9-12(17)16(14-10-11)8-6-5-7-13/h9-10H,3-8H2,1-2H3
InChIKeyQVLRGYJFXNRGGD-UHFFFAOYSA-N
MW257.76 g/mol
LogP2.11
Rot. Bonds7

About 2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one

2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one (PubChem CID 114394352) has the molecular formula C12H20ClN3O and a molecular weight of 257.76 g/mol. Its IUPAC name is 2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
PubChem CID114394352
Molecular FormulaC12H20ClN3O
Molecular Weight257.76 g/mol
Exact Mass257.13
IUPAC Name2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
SMILESCCN(CC)c1cnn(CCCCCl)c(=O)c1
InChIInChI=1S/C12H20ClN3O/c1-3-15(4-2)11-9-12(17)16(14-10-11)8-6-5-7-13/h9-10H,3-8H2,1-2H3
InChIKeyQVLRGYJFXNRGGD-UHFFFAOYSA-N
XLogP2.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
5-(diethylamino)-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394971
5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 114394941
5-(diethylamino)-2-[2-(pentan-3-ylamino)ethyl]pyridazin-3-one
CID 114397706
2-[4-(diethylamino)-6-oxopyridazin-1-yl]acetonitrile
CID 114395707
5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-[2-(chloromethyl)prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103065887
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
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-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
CID 114395947
5-(diethylamino)-2-[(4-iodophenyl)methyl]pyridazin-3-one
CID 114396959

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one?
The IUPAC name of 2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one (CID 114394352) is 2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one.
What is the SMILES notation for 2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one?
The canonical SMILES for 2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one is CCN(CC)c1cnn(CCCCCl)c(=O)c1.
What is the InChIKey of 2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one?
The InChIKey is QVLRGYJFXNRGGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O/c1-3-15(4-2)11-9-12(17)16(14-10-11)8-6-5-7-13/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one?
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one has a molecular weight of 257.76 g/mol, XLogP of 2.11, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one is sourced from PubChem (CID 114394352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).