2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one

C16H26N4O — CID 114394713

IUPAC2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCCNC(Cn1ncc(N2CCCCC2)cc1=O)C1CC1
InChIInChI=1S/C16H26N4O/c1-2-17-15(13-6-7-13)12-20-16(21)10-14(11-18-20)19-8-4-3-5-9-19/h10-11,13,15,17H,2-9,12H2,1H3
InChIKeyZLYQYFNDTYTEGH-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.62
Rot. Bonds6

About 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one

2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one (PubChem CID 114394713) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
PubChem CID114394713
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
SMILESCCNC(Cn1ncc(N2CCCCC2)cc1=O)C1CC1
InChIInChI=1S/C16H26N4O/c1-2-17-15(13-6-7-13)12-20-16(21)10-14(11-18-20)19-8-4-3-5-9-19/h10-11,13,15,17H,2-9,12H2,1H3
InChIKeyZLYQYFNDTYTEGH-UHFFFAOYSA-N
XLogP1.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-methyl-3-(propan-2-ylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114396804
2-[2-(methylamino)propyl]-5-piperidin-1-ylpyridazin-3-one
CID 114394668
2-[2-methyl-3-(propan-2-ylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396791
2-(2-cyclopentyl-2-hydroxyethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397054
2-(4-chloro-5-methylpyrazol-1-yl)-1-cyclohexyl-N-ethylethanamine
CID 104747830
2-[3-methoxy-2-(propylamino)propyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 107506432
2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97194937
2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
CID 72874397
2-(2-cyclopropyl-2-oxoethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396025
2-(2-aminopentyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114395377
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride
CID 154899944
2-(2-hydroxybutyl)-5-(3-methylpiperidin-1-yl)pyridazin-3-one
CID 114396727

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one (CID 114394713) is 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one is CCNC(Cn1ncc(N2CCCCC2)cc1=O)C1CC1.
What is the InChIKey of 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is ZLYQYFNDTYTEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-2-17-15(13-6-7-13)12-20-16(21)10-14(11-18-20)19-8-4-3-5-9-19/h10-11,13,15,17H,2-9,12H2,1H3.
What are the key properties of 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one?
2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 290.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(ethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 114394713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).