6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

C11H19N3OS2 — CID 129081891

IUPAC6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCOCCN1CCc2c(CSSC)n[nH]c2C1
InChIInChI=1S/C11H19N3OS2/c1-15-6-5-14-4-3-9-10(7-14)12-13-11(9)8-17-16-2/h3-8H2,1-2H3,(H,12,13)
InChIKeyMKDLANSPHOTRFK-UHFFFAOYSA-N
MW273.43 g/mol
LogP1.93
Rot. Bonds6

About 6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine

6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (PubChem CID 129081891) has the molecular formula C11H19N3OS2 and a molecular weight of 273.43 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
PubChem CID129081891
Molecular FormulaC11H19N3OS2
Molecular Weight273.43 g/mol
Exact Mass273.10
IUPAC Name6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine
SMILESCOCCN1CCc2c(CSSC)n[nH]c2C1
InChIInChI=1S/C11H19N3OS2/c1-15-6-5-14-4-3-9-10(7-14)12-13-11(9)8-17-16-2/h3-8H2,1-2H3,(H,12,13)
InChIKeyMKDLANSPHOTRFK-UHFFFAOYSA-N
XLogP1.93
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The IUPAC name of 6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine (CID 129081891) is 6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine.
What is the SMILES notation for 6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The canonical SMILES for 6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is COCCN1CCc2c(CSSC)n[nH]c2C1.
What is the InChIKey of 6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
The InChIKey is MKDLANSPHOTRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS2/c1-15-6-5-14-4-3-9-10(7-14)12-13-11(9)8-17-16-2/h3-8H2,1-2H3,(H,12,13).
What are the key properties of 6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine?
6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine has a molecular weight of 273.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-3-[(methyldisulfanyl)methyl]-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine is sourced from PubChem (CID 129081891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).