2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide

C15H20N6O2S — CID 166264688

IUPAC2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide
SMILESCCC(C)n1nccc1S(=O)(=O)NCc1nnc2ccc(C)cn12
InChIInChI=1S/C15H20N6O2S/c1-4-12(3)21-15(7-8-16-21)24(22,23)17-9-14-19-18-13-6-5-11(2)10-20(13)14/h5-8,10,12,17H,4,9H2,1-3H3
InChIKeyCHYFEWPZDVPGSI-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.68
Rot. Bonds6

About 2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide

2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide (PubChem CID 166264688) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide.

Molecular Properties

Compound Name2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide
PubChem CID166264688
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide
SMILESCCC(C)n1nccc1S(=O)(=O)NCc1nnc2ccc(C)cn12
InChIInChI=1S/C15H20N6O2S/c1-4-12(3)21-15(7-8-16-21)24(22,23)17-9-14-19-18-13-6-5-11(2)10-20(13)14/h5-8,10,12,17H,4,9H2,1-3H3
InChIKeyCHYFEWPZDVPGSI-UHFFFAOYSA-N
XLogP1.68
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide?
The IUPAC name of 2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide (CID 166264688) is 2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide.
What is the SMILES notation for 2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide?
The canonical SMILES for 2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide is CCC(C)n1nccc1S(=O)(=O)NCc1nnc2ccc(C)cn12.
What is the InChIKey of 2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide?
The InChIKey is CHYFEWPZDVPGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-4-12(3)21-15(7-8-16-21)24(22,23)17-9-14-19-18-13-6-5-11(2)10-20(13)14/h5-8,10,12,17H,4,9H2,1-3H3.
What are the key properties of 2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide?
2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]pyrazole-3-sulfonamide is sourced from PubChem (CID 166264688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).