2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

C11H16N2O3 — CID 102735157

IUPAC2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n([C@H]2CCC[C@@H]2O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-6-7(2)11(16)13(12-10(6)15)8-4-3-5-9(8)14/h8-9,14H,3-5H2,1-2H3,(H,12,15)/t8-,9-/m0/s1
InChIKeyFAJFHSJYBUSMQD-IUCAKERBSA-N
MW224.26 g/mol
LogP0.24
Rot. Bonds1

About 2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione

2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (PubChem CID 102735157) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
PubChem CID102735157
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione
SMILESCc1c(C)c(=O)n([C@H]2CCC[C@@H]2O)[nH]c1=O
InChIInChI=1S/C11H16N2O3/c1-6-7(2)11(16)13(12-10(6)15)8-4-3-5-9(8)14/h8-9,14H,3-5H2,1-2H3,(H,12,15)/t8-,9-/m0/s1
InChIKeyFAJFHSJYBUSMQD-IUCAKERBSA-N
XLogP0.24
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxycyclopentyl)-4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 66021926
2-(5-hydroxypentyl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 63271126
4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one
CID 66021509
5-ethyl-2-(2-hydroxycyclopentyl)-4-methyl-1H-pyrazol-3-one
CID 66021928
2-(2-hydroxycyclopentyl)-4,5-dimethyl-1H-pyrazol-3-one
CID 66022134
2-(3-hydroxybutan-2-yl)-4,5-dimethyl-1H-pyridazine-3,6-dione
CID 80076892
2-[(1S,2S)-2-hydroxycyclopentyl]-1H-pyridazine-3,6-dione
CID 102735078

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The IUPAC name of 2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione (CID 102735157) is 2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione is Cc1c(C)c(=O)n([C@H]2CCC[C@@H]2O)[nH]c1=O.
What is the InChIKey of 2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
The InChIKey is FAJFHSJYBUSMQD-IUCAKERBSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-6-7(2)11(16)13(12-10(6)15)8-4-3-5-9(8)14/h8-9,14H,3-5H2,1-2H3,(H,12,15)/t8-,9-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione?
2-[(1S,2S)-2-hydroxycyclopentyl]-4,5-dimethyl-1H-pyridazine-3,6-dione has a molecular weight of 224.26 g/mol, XLogP of 0.24, 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]-4,5-dimethyl-1H-pyridazine-3,6-dione is sourced from PubChem (CID 102735157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).