5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine

C17H16N6O2S — CID 118711415

IUPAC5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine
SMILESCOc1ccc(OC)c(Sc2ccc3nnn(-c4cnn(C)c4)c3n2)c1
InChIInChI=1S/C17H16N6O2S/c1-22-10-11(9-18-22)23-17-13(20-21-23)5-7-16(19-17)26-15-8-12(24-2)4-6-14(15)25-3/h4-10H,1-3H3
InChIKeyWJLXVWHIKZULBT-UHFFFAOYSA-N
MW368.42 g/mol
LogP2.72
Rot. Bonds5

About 5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine

5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine (PubChem CID 118711415) has the molecular formula C17H16N6O2S and a molecular weight of 368.42 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine
PubChem CID118711415
Molecular FormulaC17H16N6O2S
Molecular Weight368.42 g/mol
Exact Mass368.11
IUPAC Name5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine
SMILESCOc1ccc(OC)c(Sc2ccc3nnn(-c4cnn(C)c4)c3n2)c1
InChIInChI=1S/C17H16N6O2S/c1-22-10-11(9-18-22)23-17-13(20-21-23)5-7-16(19-17)26-15-8-12(24-2)4-6-14(15)25-3/h4-10H,1-3H3
InChIKeyWJLXVWHIKZULBT-UHFFFAOYSA-N
XLogP2.72
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.42
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine?
The IUPAC name of 5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine (CID 118711415) is 5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine is COc1ccc(OC)c(Sc2ccc3nnn(-c4cnn(C)c4)c3n2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine?
The InChIKey is WJLXVWHIKZULBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2S/c1-22-10-11(9-18-22)23-17-13(20-21-23)5-7-16(19-17)26-15-8-12(24-2)4-6-14(15)25-3/h4-10H,1-3H3.
What are the key properties of 5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine?
5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine has a molecular weight of 368.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)sulfanyl-3-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyridine is sourced from PubChem (CID 118711415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).