5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one

C13H22N4O2 — CID 114397471

IUPAC5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CCNC2CCOCC2)c(=O)c1
InChIInChI=1S/C13H22N4O2/c1-16(2)12-9-13(18)17(15-10-12)6-5-14-11-3-7-19-8-4-11/h9-11,14H,3-8H2,1-2H3
InChIKeyZOYAWYUEKLZYGA-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.08
Rot. Bonds5

About 5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one (PubChem CID 114397471) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
PubChem CID114397471
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
SMILESCN(C)c1cnn(CCNC2CCOCC2)c(=O)c1
InChIInChI=1S/C13H22N4O2/c1-16(2)12-9-13(18)17(15-10-12)6-5-14-11-3-7-19-8-4-11/h9-11,14H,3-8H2,1-2H3
InChIKeyZOYAWYUEKLZYGA-UHFFFAOYSA-N
XLogP0.08
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397688
2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397411
2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394906
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one
CID 114397448
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462
2-[3-(cyclopropylamino)propyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394769
5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one
CID 114397466
5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 114395499
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one
CID 114395884
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
CID 28871573

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one (CID 114397471) is 5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one is CN(C)c1cnn(CCNC2CCOCC2)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one?
The InChIKey is ZOYAWYUEKLZYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-16(2)12-9-13(18)17(15-10-12)6-5-14-11-3-7-19-8-4-11/h9-11,14H,3-8H2,1-2H3.
What are the key properties of 5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one has a molecular weight of 266.34 g/mol, XLogP of 0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114397471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).