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

C16H28N4O — CID 114395180

IUPAC2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCC2CCCC2NC)c(=O)c1
InChIInChI=1S/C16H28N4O/c1-4-9-19(3)14-11-16(21)20(18-12-14)10-8-13-6-5-7-15(13)17-2/h11-13,15,17H,4-10H2,1-3H3
InChIKeyITFMJUQMHBUKCI-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.87
Rot. Bonds7

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

2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one (PubChem CID 114395180) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
PubChem CID114395180
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
SMILESCCCN(C)c1cnn(CCC2CCCC2NC)c(=O)c1
InChIInChI=1S/C16H28N4O/c1-4-9-19(3)14-11-16(21)20(18-12-14)10-8-13-6-5-7-15(13)17-2/h11-13,15,17H,4-10H2,1-3H3
InChIKeyITFMJUQMHBUKCI-UHFFFAOYSA-N
XLogP1.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397146
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
2-[3-methyl-2-(methylamino)butyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114395128
2-[3-(3-aminopyrazol-1-yl)propyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114393628
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
5-[2-aminoethyl(methyl)amino]-2-octylpyridazin-3-one
CID 103223346
2-[2-[2-(methylamino)cyclopentyl]ethyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 79573346

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one (CID 114395180) is 2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one is CCCN(C)c1cnn(CCC2CCCC2NC)c(=O)c1.
What is the InChIKey of 2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
The InChIKey is ITFMJUQMHBUKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-9-19(3)14-11-16(21)20(18-12-14)10-8-13-6-5-7-15(13)17-2/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of 2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one?
2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one has a molecular weight of 292.43 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one is sourced from PubChem (CID 114395180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).