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

C12H18N6O2S — CID 128995355

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide
SMILESCCc1nc2n(n1)CCCC2NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C12H18N6O2S/c1-3-10-14-12-9(5-4-8-18(12)15-10)16-21(19,20)11-6-7-13-17(11)2/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyFNQVCEFRVGIXHM-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.39
Rot. Bonds4

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

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide (PubChem CID 128995355) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide
PubChem CID128995355
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide
SMILESCCc1nc2n(n1)CCCC2NS(=O)(=O)c1ccnn1C
InChIInChI=1S/C12H18N6O2S/c1-3-10-14-12-9(5-4-8-18(12)15-10)16-21(19,20)11-6-7-13-17(11)2/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyFNQVCEFRVGIXHM-UHFFFAOYSA-N
XLogP0.39
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

CID 134797291
CID 134797291
2-[(2S)-1-(1-propan-2-ylpyrazol-4-yl)sulfonylpyrrolidin-2-yl]pyrimidine
CID 164632838
1-methyl-N-[[(2R)-1-pyrimidin-2-ylpyrrolidin-2-yl]methyl]pyrazole-4-sulfonamide
CID 164633024
(2R)-1-(2-ethylpyrazol-3-yl)sulfonyl-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidine
CID 129487495
1-(2,2-difluoroethyl)-N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4-sulfonamide
CID 121533084
1-(2,2-difluoroethyl)-N-[(6R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide
CID 124618935
1-(2,2-difluoroethyl)-N-[(6S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]pyrazole-4-sulfonamide
CID 124618936
2-methyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-sulfonamide
CID 129005387
2-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-sulfonamide
CID 129328893
2-methyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrazole-3-sulfonamide
CID 129328894
N-[1-(1-methylpyrazol-3-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 141271887
2-[4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-ylsulfonyl)pyrazol-1-yl]-N-methylethanamine
CID 65824497

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide (CID 128995355) is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide is CCc1nc2n(n1)CCCC2NS(=O)(=O)c1ccnn1C.
What is the InChIKey of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide?
The InChIKey is FNQVCEFRVGIXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-3-10-14-12-9(5-4-8-18(12)15-10)16-21(19,20)11-6-7-13-17(11)2/h6-7,9,16H,3-5,8H2,1-2H3.
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide?
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide has a molecular weight of 310.38 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 128995355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).