5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one

C11H16ClN3O — CID 114442009

IUPAC5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
SMILESC=CCCNc1cnn(CCC)c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-3-5-6-13-9-8-14-15(7-4-2)11(16)10(9)12/h3,8,13H,1,4-7H2,2H3
InChIKeyLGRDNVAJIMUFJF-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.29
Rot. Bonds6

About 5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one

5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one (PubChem CID 114442009) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
PubChem CID114442009
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
SMILESC=CCCNc1cnn(CCC)c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-3-5-6-13-9-8-14-15(7-4-2)11(16)10(9)12/h3,8,13H,1,4-7H2,2H3
InChIKeyLGRDNVAJIMUFJF-UHFFFAOYSA-N
XLogP2.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 106337789
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
4-chloro-5-(3-imidazol-1-ylpropylamino)-2-propylpyridazin-3-one
CID 114432838
4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one
CID 103007686
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114440096
4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114442139
4-chloro-2-[2-(dimethylamino)ethyl]-5-(prop-2-enylamino)pyridazin-3-one
CID 114436885
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
4-bromo-5-(but-3-enylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114442007

Frequently Asked Questions

What is the IUPAC name of 5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one?
The IUPAC name of 5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one (CID 114442009) is 5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one.
What is the SMILES notation for 5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one?
The canonical SMILES for 5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one is C=CCCNc1cnn(CCC)c(=O)c1Cl.
What is the InChIKey of 5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one?
The InChIKey is LGRDNVAJIMUFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-3-5-6-13-9-8-14-15(7-4-2)11(16)10(9)12/h3,8,13H,1,4-7H2,2H3.
What are the key properties of 5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one?
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one has a molecular weight of 241.72 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one is sourced from PubChem (CID 114442009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).