2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine

C19H22N6OS — CID 152971578

IUPAC2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCCS(=O)c1c(-c2nc3cc(C)cnn3n2)nn2c(C)c(C)c(C)c(C)c12
InChIInChI=1S/C19H22N6OS/c1-7-27(26)18-16(19-21-15-8-10(2)9-20-25(15)23-19)22-24-14(6)12(4)11(3)13(5)17(18)24/h8-9H,7H2,1-6H3
InChIKeyUSOXVHRBRKUPAV-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.11
Rot. Bonds3

About 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine

2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine (PubChem CID 152971578) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
PubChem CID152971578
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine
SMILESCCS(=O)c1c(-c2nc3cc(C)cnn3n2)nn2c(C)c(C)c(C)c(C)c12
InChIInChI=1S/C19H22N6OS/c1-7-27(26)18-16(19-21-15-8-10(2)9-20-25(15)23-19)22-24-14(6)12(4)11(3)13(5)17(18)24/h8-9H,7H2,1-6H3
InChIKeyUSOXVHRBRKUPAV-UHFFFAOYSA-N
XLogP3.11
TPSA77.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The IUPAC name of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine (CID 152971578) is 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine.
What is the SMILES notation for 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The canonical SMILES for 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine is CCS(=O)c1c(-c2nc3cc(C)cnn3n2)nn2c(C)c(C)c(C)c(C)c12.
What is the InChIKey of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
The InChIKey is USOXVHRBRKUPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-7-27(26)18-16(19-21-15-8-10(2)9-20-25(15)23-19)22-24-14(6)12(4)11(3)13(5)17(18)24/h8-9H,7H2,1-6H3.
What are the key properties of 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine?
2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine has a molecular weight of 382.49 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-methyl-[1,2,4]triazolo[1,5-b]pyridazine is sourced from PubChem (CID 152971578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).