6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide

C11H16N6O2S — CID 64524954

IUPAC6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCc2ncn[nH]2)cn1
InChIInChI=1S/C11H16N6O2S/c1-2-12-10-4-3-9(7-13-10)20(18,19)16-6-5-11-14-8-15-17-11/h3-4,7-8,16H,2,5-6H2,1H3,(H,12,13)(H,14,15,17)
InChIKeyLFWYRKNWVRGLOE-UHFFFAOYSA-N
MW296.36 g/mol
LogP0.15
Rot. Bonds7

About 6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide

6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 64524954) has the molecular formula C11H16N6O2S and a molecular weight of 296.36 g/mol. Its IUPAC name is 6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
PubChem CID64524954
Molecular FormulaC11H16N6O2S
Molecular Weight296.36 g/mol
Exact Mass296.11
IUPAC Name6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
SMILESCCNc1ccc(S(=O)(=O)NCCc2ncn[nH]2)cn1
InChIInChI=1S/C11H16N6O2S/c1-2-12-10-4-3-9(7-13-10)20(18,19)16-6-5-11-14-8-15-17-11/h3-4,7-8,16H,2,5-6H2,1H3,(H,12,13)(H,14,15,17)
InChIKeyLFWYRKNWVRGLOE-UHFFFAOYSA-N
XLogP0.15
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 64523185
2-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-4-sulfonamide
CID 64523776
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64518969
6-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-3-sulfonamide
CID 106407903
6-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62144358
4-(methylaminomethyl)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64531771
N-[2-(5-bromothiophen-2-yl)ethyl]-6-(ethylamino)pyridine-3-sulfonamide
CID 106049801
6-(ethylamino)-N-(2-methoxyethyl)pyridine-3-sulfonamide
CID 62148459
4-bromo-3-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529312
N-(2-ethoxyethyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164881
6-(ethylamino)-N-methylpyridine-3-sulfonamide
CID 62150384
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide (CID 64524954) is 6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide is CCNc1ccc(S(=O)(=O)NCCc2ncn[nH]2)cn1.
What is the InChIKey of 6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is LFWYRKNWVRGLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2S/c1-2-12-10-4-3-9(7-13-10)20(18,19)16-6-5-11-14-8-15-17-11/h3-4,7-8,16H,2,5-6H2,1H3,(H,12,13)(H,14,15,17).
What are the key properties of 6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide?
6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 296.36 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 64524954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).