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

C15H19ClN4O — CID 114447317

IUPAC5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)c2ccc(N)cc2)c(Cl)c1=O
InChIInChI=1S/C15H19ClN4O/c1-3-8-20-15(21)14(16)13(9-18-20)19-10(2)11-4-6-12(17)7-5-11/h4-7,9-10,19H,3,8,17H2,1-2H3
InChIKeyVEWLYBXUYHPADV-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.06
Rot. Bonds5

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

5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one (PubChem CID 114447317) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one.

Molecular Properties

Compound Name5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one
PubChem CID114447317
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one
SMILESCCCn1ncc(NC(C)c2ccc(N)cc2)c(Cl)c1=O
InChIInChI=1S/C15H19ClN4O/c1-3-8-20-15(21)14(16)13(9-18-20)19-10(2)11-4-6-12(17)7-5-11/h4-7,9-10,19H,3,8,17H2,1-2H3
InChIKeyVEWLYBXUYHPADV-UHFFFAOYSA-N
XLogP3.06
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974
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
4-chloro-5-(1-phenylethylamino)-2-prop-2-enylpyridazin-3-one
CID 114431890
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
4-chloro-2-prop-2-enyl-5-(1-pyridin-4-ylethylamino)pyridazin-3-one
CID 114433289
4-chloro-5-(1-cyclobutylethylamino)-2-propylpyridazin-3-one
CID 114443047

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one?
The IUPAC name of 5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one (CID 114447317) is 5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one.
What is the SMILES notation for 5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one?
The canonical SMILES for 5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one is CCCn1ncc(NC(C)c2ccc(N)cc2)c(Cl)c1=O.
What is the InChIKey of 5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one?
The InChIKey is VEWLYBXUYHPADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-3-8-20-15(21)14(16)13(9-18-20)19-10(2)11-4-6-12(17)7-5-11/h4-7,9-10,19H,3,8,17H2,1-2H3.
What are the key properties of 5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one?
5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one has a molecular weight of 306.80 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one is sourced from PubChem (CID 114447317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).