4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide

C11H15N5O2S — CID 113366305

IUPAC4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(C)n1c(Cc2ccncc2)nnc1S(N)(=O)=O
InChIInChI=1S/C11H15N5O2S/c1-8(2)16-10(7-9-3-5-13-6-4-9)14-15-11(16)19(12,17)18/h3-6,8H,7H2,1-2H3,(H2,12,17,18)
InChIKeyGXLZGCZELYZYLP-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.49
Rot. Bonds4

About 4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide

4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide (PubChem CID 113366305) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide
PubChem CID113366305
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide
SMILESCC(C)n1c(Cc2ccncc2)nnc1S(N)(=O)=O
InChIInChI=1S/C11H15N5O2S/c1-8(2)16-10(7-9-3-5-13-6-4-9)14-15-11(16)19(12,17)18/h3-6,8H,7H2,1-2H3,(H2,12,17,18)
InChIKeyGXLZGCZELYZYLP-UHFFFAOYSA-N
XLogP0.49
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-heptyl-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 113366295
5-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2,4-triazole-3-sulfonamide
CID 107003774
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 18726727
[4-propan-2-yl-5-(2-pyridin-4-ylethylsulfanyl)-1,2,4-triazol-3-yl]methanamine
CID 63313526
4-[[ethyl(sulfamoyl)amino]methyl]pyridine
CID 112688980
3-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]butanoic acid
CID 66041427
2-[[5-[(4-methylphenyl)methyl]-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 115391898
4-[[4-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 20646252
2-methyl-3-(pyridin-4-ylmethylsulfonyl)propan-1-amine
CID 81202392
4-[(4-ethyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 115394759
4-[(1S)-1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]benzenesulfonamide
CID 35886705
4-(pyridin-4-ylmethyl)-1,3-oxazole
CID 173201364

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide (CID 113366305) is 4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide is CC(C)n1c(Cc2ccncc2)nnc1S(N)(=O)=O.
What is the InChIKey of 4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide?
The InChIKey is GXLZGCZELYZYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-8(2)16-10(7-9-3-5-13-6-4-9)14-15-11(16)19(12,17)18/h3-6,8H,7H2,1-2H3,(H2,12,17,18).
What are the key properties of 4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide?
4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-5-(pyridin-4-ylmethyl)-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113366305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).