N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide

C16H17N5O2S — CID 99802354

IUPACN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCc1nnc2n1CCCC2)c1cccc2cccnc12
InChIInChI=1S/C16H17N5O2S/c22-24(23,13-7-3-5-12-6-4-9-17-16(12)13)18-11-15-20-19-14-8-1-2-10-21(14)15/h3-7,9,18H,1-2,8,10-11H2
InChIKeyBZIQKPVBFJIOBR-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.64
Rot. Bonds4

About N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide

N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide (PubChem CID 99802354) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide
PubChem CID99802354
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide
SMILESO=S(=O)(NCc1nnc2n1CCCC2)c1cccc2cccnc12
InChIInChI=1S/C16H17N5O2S/c22-24(23,13-7-3-5-12-6-4-9-17-16(12)13)18-11-15-20-19-14-8-1-2-10-21(14)15/h3-7,9,18H,1-2,8,10-11H2
InChIKeyBZIQKPVBFJIOBR-UHFFFAOYSA-N
XLogP1.64
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide with MolForge

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-8-sulfonamide
CID 5053869
N-[(4-pyrazol-1-ylphenyl)methyl]quinoline-8-sulfonamide
CID 22205174
N-(1,3-benzodioxol-5-ylmethyl)quinoline-8-sulfonamide
CID 2056026
N-[[(2S)-oxolan-2-yl]methyl]quinoline-8-sulfonamide
CID 704975
3-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 136559880
N-cycloheptylquinoline-8-sulfonamide
CID 3244108
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-2,4,6-trimethylbenzenesulfonamide
CID 53499135
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]quinoline-8-sulfonamide
CID 121137843
2-chloro-6-methyl-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)aniline
CID 107077638
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-1-(4-fluorophenyl)methanesulfonamide
CID 53499925
8-piperidin-1-ylsulfonylquinoline
CID 768759

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide?
The IUPAC name of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide (CID 99802354) is N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide?
The canonical SMILES for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide is O=S(=O)(NCc1nnc2n1CCCC2)c1cccc2cccnc12.
What is the InChIKey of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide?
The InChIKey is BZIQKPVBFJIOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-24(23,13-7-3-5-12-6-4-9-17-16(12)13)18-11-15-20-19-14-8-1-2-10-21(14)15/h3-7,9,18H,1-2,8,10-11H2.
What are the key properties of N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide?
N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide has a molecular weight of 343.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)quinoline-8-sulfonamide is sourced from PubChem (CID 99802354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).