6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione

C8H10N2S — CID 143749569

IUPAC6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione
SMILESCN1Cc2ccc(=S)[nH]c2C1
InChIInChI=1S/C8H10N2S/c1-10-4-6-2-3-8(11)9-7(6)5-10/h2-3H,4-5H2,1H3,(H,9,11)
InChIKeyAUEXVGFZCVBBKJ-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.69
Rot. Bonds

About 6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione

6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione (PubChem CID 143749569) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione.

Molecular Properties

Compound Name6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione
PubChem CID143749569
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione
SMILESCN1Cc2ccc(=S)[nH]c2C1
InChIInChI=1S/C8H10N2S/c1-10-4-6-2-3-8(11)9-7(6)5-10/h2-3H,4-5H2,1H3,(H,9,11)
InChIKeyAUEXVGFZCVBBKJ-UHFFFAOYSA-N
XLogP1.69
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione?
The IUPAC name of 6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione (CID 143749569) is 6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione.
What is the SMILES notation for 6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione?
The canonical SMILES for 6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione is CN1Cc2ccc(=S)[nH]c2C1.
What is the InChIKey of 6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione?
The InChIKey is AUEXVGFZCVBBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-10-4-6-2-3-8(11)9-7(6)5-10/h2-3H,4-5H2,1H3,(H,9,11).
What are the key properties of 6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione?
6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione has a molecular weight of 166.25 g/mol, XLogP of 1.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,7-dihydro-1H-pyrrolo[3,4-b]pyridine-2-thione is sourced from PubChem (CID 143749569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).