4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one

C12H21ClN4O — CID 114444576

IUPAC4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCCNCCNc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C12H21ClN4O/c1-4-14-5-6-15-10-7-16-17(8-9(2)3)12(18)11(10)13/h7,9,14-15H,4-6,8H2,1-3H3
InChIKeyYVYSRIUFOWUCJE-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.57
Rot. Bonds7

About 4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one

4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114444576) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114444576
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCCNCCNc1cnn(CC(C)C)c(=O)c1Cl
InChIInChI=1S/C12H21ClN4O/c1-4-14-5-6-15-10-7-16-17(8-9(2)3)12(18)11(10)13/h7,9,14-15H,4-6,8H2,1-3H3
InChIKeyYVYSRIUFOWUCJE-UHFFFAOYSA-N
XLogP1.57
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-(ethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114431758
N-[2-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433515
4-chloro-5-(3-fluoropropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114266993
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
4-chloro-2-(2-methylpropyl)-5-(2-phenylethylamino)pyridazin-3-one
CID 114432372
3-[[5-chloro-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114434114
4-chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114436398
4-chloro-5-[3-[methyl(propan-2-yl)amino]propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106048521
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114442227
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236
4-chloro-2-(2-methylpropyl)-5-(2H-tetrazol-5-ylmethylamino)pyridazin-3-one
CID 114436460

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one (CID 114444576) is 4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one is CCNCCNc1cnn(CC(C)C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is YVYSRIUFOWUCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-4-14-5-6-15-10-7-16-17(8-9(2)3)12(18)11(10)13/h7,9,14-15H,4-6,8H2,1-3H3.
What are the key properties of 4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 272.78 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(ethylamino)ethylamino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114444576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).