6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one

C20H30N4O2 — CID 141462040

IUPAC6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one
SMILESCCCN(C)CCNCCCCOc1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H30N4O2/c1-3-15-23(2)16-14-21-13-7-8-17-26-19-11-12-20(25)24(22-19)18-9-5-4-6-10-18/h4-6,9-12,21H,3,7-8,13-17H2,1-2H3
InChIKeyDBQZGKCDIWOXEY-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.32
Rot. Bonds12

About 6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one

6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one (PubChem CID 141462040) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one
PubChem CID141462040
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one
SMILESCCCN(C)CCNCCCCOc1ccc(=O)n(-c2ccccc2)n1
InChIInChI=1S/C20H30N4O2/c1-3-15-23(2)16-14-21-13-7-8-17-26-19-11-12-20(25)24(22-19)18-9-5-4-6-10-18/h4-6,9-12,21H,3,7-8,13-17H2,1-2H3
InChIKeyDBQZGKCDIWOXEY-UHFFFAOYSA-N
XLogP2.32
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[3-[di(propan-2-yl)amino]propoxy]-2-phenylpyridazin-3-one
CID 127048204
methyl 2-(6-oxo-1-phenylpyridazin-3-yl)oxyacetate
CID 806216
6-methoxy-2-phenylpyridazin-3-one
CID 6456935
N-(3-butoxypropyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31890180
2-(6-oxo-1-phenylpyridazin-3-yl)oxy-N-prop-2-enylacetamide
CID 3831398
N,N-dimethyl-5-pentoxy-1-phenylpyrazole-3-carboxamide
CID 3043183
N-(4-ethoxybutyl)-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62561727
N,N-dibutyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 166181653
4-[3-(dimethylamino)propylamino]-6-ethoxy-2-phenylpyridazin-3-one
CID 3040456
N-[2-(ethylamino)ethyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 119508020
6-[2-(azepan-1-yl)-2-oxoethoxy]-2-phenylpyridazin-3-one
CID 1485262
(6-oxo-1-phenylpyridazin-3-yl) 3,4-dimethylbenzoate
CID 835928

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one?
The IUPAC name of 6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one (CID 141462040) is 6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one is CCCN(C)CCNCCCCOc1ccc(=O)n(-c2ccccc2)n1.
What is the InChIKey of 6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one?
The InChIKey is DBQZGKCDIWOXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-3-15-23(2)16-14-21-13-7-8-17-26-19-11-12-20(25)24(22-19)18-9-5-4-6-10-18/h4-6,9-12,21H,3,7-8,13-17H2,1-2H3.
What are the key properties of 6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one?
6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one has a molecular weight of 358.49 g/mol, XLogP of 2.32, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[methyl(propyl)amino]ethylamino]butoxy]-2-phenylpyridazin-3-one is sourced from PubChem (CID 141462040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).