2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione

C9H12N2O3 — CID 102735078

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n([C@H]2CCC[C@@H]2O)[nH]1
InChIInChI=1S/C9H12N2O3/c12-7-3-1-2-6(7)11-9(14)5-4-8(13)10-11/h4-7,12H,1-3H2,(H,10,13)/t6-,7-/m0/s1
InChIKeyQQMHHXUFTTWQLT-BQBZGAKWSA-N
MW196.21 g/mol
LogP-0.38
Rot. Bonds1

About 2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione

2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione (PubChem CID 102735078) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione
PubChem CID102735078
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n([C@H]2CCC[C@@H]2O)[nH]1
InChIInChI=1S/C9H12N2O3/c12-7-3-1-2-6(7)11-9(14)5-4-8(13)10-11/h4-7,12H,1-3H2,(H,10,13)/t6-,7-/m0/s1
InChIKeyQQMHHXUFTTWQLT-BQBZGAKWSA-N
XLogP-0.38
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-hydroxypentyl)-1H-pyridazine-3,6-dione
CID 62227301
2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one
CID 66021299
2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 102735157
(E)-4-amino-N-(2-hydroxycyclopentyl)but-2-enamide
CID 131237542

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione (CID 102735078) is 2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione is O=c1ccc(=O)n([C@H]2CCC[C@@H]2O)[nH]1.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione?
The InChIKey is QQMHHXUFTTWQLT-BQBZGAKWSA-N. The full InChI is InChI=1S/C9H12N2O3/c12-7-3-1-2-6(7)11-9(14)5-4-8(13)10-11/h4-7,12H,1-3H2,(H,10,13)/t6-,7-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione?
2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione has a molecular weight of 196.21 g/mol, XLogP of -0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione is sourced from PubChem (CID 102735078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).