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

C11H17N3O2 — CID 102735282

IUPAC5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
SMILESCN(C)c1cnn([C@H]2CCC[C@@H]2O)c(=O)c1
InChIInChI=1S/C11H17N3O2/c1-13(2)8-6-11(16)14(12-7-8)9-4-3-5-10(9)15/h6-7,9-10,15H,3-5H2,1-2H3/t9-,10-/m0/s1
InChIKeyKUSKKZHHQWVKPB-UWVGGRQHSA-N
MW223.28 g/mol
LogP0.40
Rot. Bonds2

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

5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one (PubChem CID 102735282) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
PubChem CID102735282
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one
SMILESCN(C)c1cnn([C@H]2CCC[C@@H]2O)c(=O)c1
InChIInChI=1S/C11H17N3O2/c1-13(2)8-6-11(16)14(12-7-8)9-4-3-5-10(9)15/h6-7,9-10,15H,3-5H2,1-2H3/t9-,10-/m0/s1
InChIKeyKUSKKZHHQWVKPB-UWVGGRQHSA-N
XLogP0.40
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one (CID 102735282) is 5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one is CN(C)c1cnn([C@H]2CCC[C@@H]2O)c(=O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
The InChIKey is KUSKKZHHQWVKPB-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13(2)8-6-11(16)14(12-7-8)9-4-3-5-10(9)15/h6-7,9-10,15H,3-5H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of 5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one?
5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one has a molecular weight of 223.28 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(1S,2S)-2-hydroxycyclopentyl]pyridazin-3-one is sourced from PubChem (CID 102735282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).