2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione

C8H12N2O3S — CID 2738074

IUPAC2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione
SMILESCSCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H12N2O3S/c1-14-5-6(11)4-10-8(13)3-2-7(12)9-10/h2-3,6,11H,4-5H2,1H3,(H,9,12)
InChIKeyCNBUEDMHNYJSGD-UHFFFAOYSA-N
MW216.26 g/mol
LogP-0.74
Rot. Bonds4

About 2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione

2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione (PubChem CID 2738074) has the molecular formula C8H12N2O3S and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione
PubChem CID2738074
Molecular FormulaC8H12N2O3S
Molecular Weight216.26 g/mol
Exact Mass216.06
IUPAC Name2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione
SMILESCSCC(O)Cn1[nH]c(=O)ccc1=O
InChIInChI=1S/C8H12N2O3S/c1-14-5-6(11)4-10-8(13)3-2-7(12)9-10/h2-3,6,11H,4-5H2,1H3,(H,9,12)
InChIKeyCNBUEDMHNYJSGD-UHFFFAOYSA-N
XLogP-0.74
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2R)-2-hydroxy-3-methylsulfanylpropyl]-1H-pyridazine-3,6-dione
CID 42555566
2-[(2S)-2-hydroxy-3-methylsulfanylpropyl]-1H-pyridazine-3,6-dione
CID 42555567
2-(2-hydroxypropyl)-1H-pyridazine-3,6-dione
CID 60877824
2-(3-ethylsulfanylpropyl)-1H-pyridazine-3,6-dione
CID 104863707

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione (CID 2738074) is 2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione is CSCC(O)Cn1[nH]c(=O)ccc1=O.
What is the InChIKey of 2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione?
The InChIKey is CNBUEDMHNYJSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3S/c1-14-5-6(11)4-10-8(13)3-2-7(12)9-10/h2-3,6,11H,4-5H2,1H3,(H,9,12).
What are the key properties of 2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione?
2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione has a molecular weight of 216.26 g/mol, XLogP of -0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methylsulfanylpropyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 2738074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).