5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide

C11H12N6O2S — CID 61248732

IUPAC5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCc1nnc2ccccn12
InChIInChI=1S/C11H12N6O2S/c1-8-9(6-12-14-8)20(18,19)13-7-11-16-15-10-4-2-3-5-17(10)11/h2-6,13H,7H2,1H3,(H,12,14)
InChIKeyLCQAABDLJQDTKA-UHFFFAOYSA-N
MW292.32 g/mol
LogP0.24
Rot. Bonds4

About 5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61248732) has the molecular formula C11H12N6O2S and a molecular weight of 292.32 g/mol. Its IUPAC name is 5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID61248732
Molecular FormulaC11H12N6O2S
Molecular Weight292.32 g/mol
Exact Mass292.07
IUPAC Name5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCc1nnc2ccccn12
InChIInChI=1S/C11H12N6O2S/c1-8-9(6-12-14-8)20(18,19)13-7-11-16-15-10-4-2-3-5-17(10)11/h2-6,13H,7H2,1H3,(H,12,14)
InChIKeyLCQAABDLJQDTKA-UHFFFAOYSA-N
XLogP0.24
TPSA105.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,4,6-trimethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 86978007
N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 86978022
2,3-dimethyl-5-nitro-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 78820851
5-methyl-N-[(1-methylpyrrol-2-yl)methyl]-1H-pyrazole-4-sulfonamide
CID 103710703
4-bromo-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzenesulfonamide
CID 60652284
2-methylsulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)benzamide
CID 31307812
N-[[2-(difluoromethoxy)phenyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 60912231
N'-hydroxy-4-[[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]methyl]benzenecarboximidamide
CID 76939126
2-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]ethylurea
CID 78994022
3-[(4-methylphenyl)sulfonylamino]-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 9021108
(E)-2-(4-chlorophenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)ethenesulfonamide
CID 78797891
2-(aminomethyl)-2-ethyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)butanamide
CID 115432363

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 61248732) is 5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCc1nnc2ccccn12.
What is the InChIKey of 5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is LCQAABDLJQDTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2S/c1-8-9(6-12-14-8)20(18,19)13-7-11-16-15-10-4-2-3-5-17(10)11/h2-6,13H,7H2,1H3,(H,12,14).
What are the key properties of 5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 292.32 g/mol, XLogP of 0.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61248732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).