4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one

C16H20ClN3O — CID 114435974

IUPAC4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)c2ccc(C)cc2)c(Cl)c1=O
InChIInChI=1S/C16H20ClN3O/c1-4-9-20-16(21)15(17)14(10-18-20)19-12(3)13-7-5-11(2)6-8-13/h5-8,10,12,19H,4,9H2,1-3H3
InChIKeyFGSKYYAKPIVUOQ-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.79
Rot. Bonds5

About 4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one

4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one (PubChem CID 114435974) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
PubChem CID114435974
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)c2ccc(C)cc2)c(Cl)c1=O
InChIInChI=1S/C16H20ClN3O/c1-4-9-20-16(21)15(17)14(10-18-20)19-12(3)13-7-5-11(2)6-8-13/h5-8,10,12,19H,4,9H2,1-3H3
InChIKeyFGSKYYAKPIVUOQ-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114447317
4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one
CID 114434311
5-[1-(4-bromophenyl)ethylamino]-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114435836
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
4-chloro-2-propyl-5-[1-(2H-tetrazol-5-yl)ethylamino]pyridazin-3-one
CID 114436433
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114442160
4-chloro-5-(5-methylhexan-2-ylamino)-2-propylpyridazin-3-one
CID 114438256
2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 114434723
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 114441510
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one (CID 114435974) is 4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one is CCCn1ncc(NC(C)c2ccc(C)cc2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one?
The InChIKey is FGSKYYAKPIVUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-4-9-20-16(21)15(17)14(10-18-20)19-12(3)13-7-5-11(2)6-8-13/h5-8,10,12,19H,4,9H2,1-3H3.
What are the key properties of 4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one?
4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one has a molecular weight of 305.81 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114435974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).