5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one

C13H21N3O2 — CID 102735288

IUPAC5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
SMILESCCN(CC)c1cnn([C@H]2CCC[C@@H]2O)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-3-15(4-2)10-8-13(18)16(14-9-10)11-6-5-7-12(11)17/h8-9,11-12,17H,3-7H2,1-2H3/t11-,12-/m0/s1
InChIKeyKWFSIGZSVVBHRW-RYUDHWBXSA-N
MW251.33 g/mol
LogP1.18
Rot. Bonds4

About 5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one

5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one (PubChem CID 102735288) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
PubChem CID102735288
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
SMILESCCN(CC)c1cnn([C@H]2CCC[C@@H]2O)c(=O)c1
InChIInChI=1S/C13H21N3O2/c1-3-15(4-2)10-8-13(18)16(14-9-10)11-6-5-7-12(11)17/h8-9,11-12,17H,3-7H2,1-2H3/t11-,12-/m0/s1
InChIKeyKWFSIGZSVVBHRW-RYUDHWBXSA-N
XLogP1.18
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(cyclopentylmethylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114397665
2-(2-cyclohexyl-2-hydroxyethyl)-5-(diethylamino)pyridazin-3-one
CID 114397134
2-[2-(cyclopropylamino)ethyl]-5-(diethylamino)pyridazin-3-one
CID 114394906
2-[4-(diethylamino)-6-oxopyridazin-1-yl]propanoic acid
CID 114394028
5-(diethylamino)-2-(3-pyrrolidin-2-ylpropyl)pyridazin-3-one
CID 114395947
5-(diethylamino)-2-[3-(propan-2-ylamino)propyl]pyridazin-3-one
CID 114394941
2-(4-chlorobutyl)-5-(diethylamino)pyridazin-3-one
CID 114394352
5-(diethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397688
5-(diethylamino)-2-[2-(oxolan-2-ylmethylamino)ethyl]pyridazin-3-one
CID 114397695
5-(diethylamino)-2-(2-sulfanylethyl)pyridazin-3-one
CID 114399061
methyl 5-amino-3-(diethylamino)-1-(2-hydroxycyclopentyl)pyrazole-4-carboxylate
CID 102809006
2-[2-(chloromethyl)prop-2-enyl]-5-(diethylamino)pyridazin-3-one
CID 103065887

Frequently Asked Questions

What is the IUPAC name of 5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
The IUPAC name of 5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one (CID 102735288) is 5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one.
What is the SMILES notation for 5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
The canonical SMILES for 5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one is CCN(CC)c1cnn([C@H]2CCC[C@@H]2O)c(=O)c1.
What is the InChIKey of 5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
The InChIKey is KWFSIGZSVVBHRW-RYUDHWBXSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-15(4-2)10-8-13(18)16(14-9-10)11-6-5-7-12(11)17/h8-9,11-12,17H,3-7H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of 5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one has a molecular weight of 251.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one is sourced from PubChem (CID 102735288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).