5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one

C14H16ClN3O3 — CID 728312

IUPAC5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(CCNc2cn[nH]c(=O)c2Cl)cc1OC
InChIInChI=1S/C14H16ClN3O3/c1-20-11-4-3-9(7-12(11)21-2)5-6-16-10-8-17-18-14(19)13(10)15/h3-4,7-8H,5-6H2,1-2H3,(H2,16,18,19)
InChIKeyLSIFHYUOHMONLE-UHFFFAOYSA-N
MW309.75 g/mol
LogP2.10
Rot. Bonds6

About 5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one

5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one (PubChem CID 728312) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is 5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one
PubChem CID728312
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Name5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one
SMILESCOc1ccc(CCNc2cn[nH]c(=O)c2Cl)cc1OC
InChIInChI=1S/C14H16ClN3O3/c1-20-11-4-3-9(7-12(11)21-2)5-6-16-10-8-17-18-14(19)13(10)15/h3-4,7-8H,5-6H2,1-2H3,(H2,16,18,19)
InChIKeyLSIFHYUOHMONLE-UHFFFAOYSA-N
XLogP2.10
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-((3,4-dimethoxyphenethyl)amino)-6-methylpyridin-2(1H)-one
CID 906230
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3-methoxybenzylidene)hydrazino]-3-oxopropanamide
CID 5335751
N-(3,4-dimethoxyphenethyl)-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 660163
NZ 107
CID 129496
3(2H)-Pyridazinone, 4-bromo-5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-
CID 3065185
3(2H)-Pyridazinone, 5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-ethoxy-
CID 3088338
3(2H)-Pyridazinone, 5-(((3-butoxy-4-methoxyphenyl)methyl)amino)-4-chloro-6-(1-methylethoxy)-
CID 3088339
4-Chloro-5-[(3-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 45868564
3(2H)-Pyridazinone, 4-chloro-5-(((4-methoxy-3-propoxyphenyl)methyl)amino)-2-methyl-
CID 3065184
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 2460538
4-Chloro-5-[(4-methoxyphenyl)methylamino]-2-methylpyridazin-3-one
CID 45806305
4-[[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]amino]-5-chloro-1H-pyridazin-6-one
CID 51099694

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one (CID 728312) is 5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one is COc1ccc(CCNc2cn[nH]c(=O)c2Cl)cc1OC.
What is the InChIKey of 5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one?
The InChIKey is LSIFHYUOHMONLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-20-11-4-3-9(7-12(11)21-2)5-6-16-10-8-17-18-14(19)13(10)15/h3-4,7-8H,5-6H2,1-2H3,(H2,16,18,19).
What are the key properties of 5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one?
5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one has a molecular weight of 309.75 g/mol, XLogP of 2.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyridazin-6-one is sourced from PubChem (CID 728312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).