2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one

C15H25N3O2 — CID 114397146

IUPAC2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCC2CCCC2O)c(=O)c1
InChIInChI=1S/C15H25N3O2/c1-3-8-17(2)13-10-15(20)18(16-11-13)9-7-12-5-4-6-14(12)19/h10-12,14,19H,3-9H2,1-2H3
InChIKeyBGMFZYUFZBCOLU-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.64
Rot. Bonds6

About 2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one

2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 114397146) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID114397146
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCC2CCCC2O)c(=O)c1
InChIInChI=1S/C15H25N3O2/c1-3-8-17(2)13-10-15(20)18(16-11-13)9-7-12-5-4-6-14(12)19/h10-12,14,19H,3-9H2,1-2H3
InChIKeyBGMFZYUFZBCOLU-UHFFFAOYSA-N
XLogP1.64
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114395180
2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396265
2-[2-(2-aminocyclopentyl)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394778
3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanal
CID 114396264
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
tert-butyl 3-[4-[methyl(propyl)amino]-6-oxopyridazin-1-yl]propanoate
CID 114394122
2-(3-chloro-2-hydroxypropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394399
2-(2-hydroxypentyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397148
2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393628
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
5-(dimethylamino)-2-(2-piperidin-2-ylethyl)pyridazin-3-one
CID 114395884
2-[(4-iodophenyl)methyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396977

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 114397146) is 2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(CCC2CCCC2O)c(=O)c1.
What is the InChIKey of 2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is BGMFZYUFZBCOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-8-17(2)13-10-15(20)18(16-11-13)9-7-12-5-4-6-14(12)19/h10-12,14,19H,3-9H2,1-2H3.
What are the key properties of 2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 279.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 114397146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).