2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide

C11H16N6O2S — CID 62145827

IUPAC2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NC(C)c1nncn1C
InChIInChI=1S/C11H16N6O2S/c1-8(11-15-14-7-17(11)3)16-20(18,19)9-5-4-6-13-10(9)12-2/h4-8,16H,1-3H3,(H,12,13)
InChIKeyYNYBIIOIWYDCJN-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.29
Rot. Bonds5

About 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide

2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 62145827) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
PubChem CID62145827
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide
SMILESCNc1ncccc1S(=O)(=O)NC(C)c1nncn1C
InChIInChI=1S/C11H16N6O2S/c1-8(11-15-14-7-17(11)3)16-20(18,19)9-5-4-6-13-10(9)12-2/h4-8,16H,1-3H3,(H,12,13)
InChIKeyYNYBIIOIWYDCJN-UHFFFAOYSA-N
XLogP0.29
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide (CID 62145827) is 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide is CNc1ncccc1S(=O)(=O)NC(C)c1nncn1C.
What is the InChIKey of 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is YNYBIIOIWYDCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-8(11-15-14-7-17(11)3)16-20(18,19)9-5-4-6-13-10(9)12-2/h4-8,16H,1-3H3,(H,12,13).
What are the key properties of 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide?
2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 296.36 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 62145827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).