4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one

C16H20ClN3O — CID 114440096

IUPAC4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCc2ccccc2C)c(Cl)c1=O
InChIInChI=1S/C16H20ClN3O/c1-3-10-20-16(21)15(17)14(11-19-20)18-9-8-13-7-5-4-6-12(13)2/h4-7,11,18H,3,8-10H2,1-2H3
InChIKeyUMZXTKBRGCRNPJ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.27
Rot. Bonds6

About 4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one

4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one (PubChem CID 114440096) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one
PubChem CID114440096
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCc2ccccc2C)c(Cl)c1=O
InChIInChI=1S/C16H20ClN3O/c1-3-10-20-16(21)15(17)14(11-19-20)18-9-8-13-7-5-4-6-12(13)2/h4-7,11,18H,3,8-10H2,1-2H3
InChIKeyUMZXTKBRGCRNPJ-UHFFFAOYSA-N
XLogP3.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[2-(2-methylpyrazol-3-yl)ethylamino]-2-propylpyridazin-3-one
CID 103007686
4-chloro-2-(2-methoxyethyl)-5-[(2-methylphenyl)methylamino]pyridazin-3-one
CID 115573801
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
CID 114442009
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
5-[2-(benzylamino)ethylamino]-2-butyl-4-chloropyridazin-3-one
CID 15581001
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-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
4-chloro-5-[(2,2-dimethylcyclopropyl)methylamino]-2-propylpyridazin-3-one
CID 114108582
4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one
CID 114439887

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one (CID 114440096) is 4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one is CCCn1ncc(NCCc2ccccc2C)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one?
The InChIKey is UMZXTKBRGCRNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-3-10-20-16(21)15(17)14(11-19-20)18-9-8-13-7-5-4-6-12(13)2/h4-7,11,18H,3,8-10H2,1-2H3.
What are the key properties of 4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one?
4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one has a molecular weight of 305.81 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-(2-methylphenyl)ethylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114440096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).