5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one

C15H18ClN3O3 — CID 48557349

IUPAC5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(CCCNc2cn[nH]c(=O)c2Cl)cc1OC
InChIInChI=1S/C15H18ClN3O3/c1-21-12-6-5-10(8-13(12)22-2)4-3-7-17-11-9-18-19-15(20)14(11)16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,19,20)
InChIKeyULIBZNOSOGYFCO-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.49
Rot. Bonds7

About 5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one

5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one (PubChem CID 48557349) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one
PubChem CID48557349
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(CCCNc2cn[nH]c(=O)c2Cl)cc1OC
InChIInChI=1S/C15H18ClN3O3/c1-21-12-6-5-10(8-13(12)22-2)4-3-7-17-11-9-18-19-15(20)14(11)16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,19,20)
InChIKeyULIBZNOSOGYFCO-UHFFFAOYSA-N
XLogP2.49
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.49
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

5-chloro-4-[2-(3-methylphenyl)ethylamino]-1H-pyridazin-6-one
CID 78989356
2-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-N,N-diethylethanesulfonamide
CID 133292970
5-chloro-4-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-1H-pyridazin-6-one
CID 41195971
5-chloro-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 112730959
5-chloro-4-[(4-fluoro-3-methylphenyl)methylamino]-1H-pyridazin-6-one
CID 46682264
5-[3-(3,4-dimethoxyphenyl)propylamino]pyrazine-2-carboxylic acid
CID 122053296
2-(3,4-dimethoxyphenyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 43663455
N-[3-(3,4-dimethoxyphenyl)propyl]-6-methylpyrimidin-4-amine
CID 133299019
N-[3-(4-chlorophenyl)propyl]-N'-[2-(3,4-dimethoxyphenyl)ethyl]pentane-1,5-diamine
CID 44522466
5-chloro-4-(3-phenylbutylamino)-1H-pyridazin-6-one
CID 78990669
4,6-dichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3,5-triazin-2-amine
CID 46179762
5-[3-(3,4-dimethoxyphenyl)propyl]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 11267232

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one (CID 48557349) is 5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one is COc1ccc(CCCNc2cn[nH]c(=O)c2Cl)cc1OC.
What is the InChIKey of 5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one?
The InChIKey is ULIBZNOSOGYFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/c1-21-12-6-5-10(8-13(12)22-2)4-3-7-17-11-9-18-19-15(20)14(11)16/h5-6,8-9H,3-4,7H2,1-2H3,(H2,17,19,20).
What are the key properties of 5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one?
5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one has a molecular weight of 323.78 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[3-(3,4-dimethoxyphenyl)propylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 48557349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).