3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide

C10H14N6O2S — CID 103306246

IUPAC3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C10H14N6O2S/c1-2-11-8-4-3-5-12-10(8)19(17,18)15-6-9-13-7-14-16-9/h3-5,7,11,15H,2,6H2,1H3,(H,13,14,16)
InChIKeyILGZTQNUYCJIHP-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.11
Rot. Bonds6

About 3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide

3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide (PubChem CID 103306246) has the molecular formula C10H14N6O2S and a molecular weight of 282.33 g/mol. Its IUPAC name is 3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
PubChem CID103306246
Molecular FormulaC10H14N6O2S
Molecular Weight282.33 g/mol
Exact Mass282.09
IUPAC Name3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide
SMILESCCNc1cccnc1S(=O)(=O)NCc1ncn[nH]1
InChIInChI=1S/C10H14N6O2S/c1-2-11-8-4-3-5-12-10(8)19(17,18)15-6-9-13-7-14-16-9/h3-5,7,11,15H,2,6H2,1H3,(H,13,14,16)
InChIKeyILGZTQNUYCJIHP-UHFFFAOYSA-N
XLogP0.11
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-(propylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-sulfonamide
CID 103306242
3-(ethylamino)-N-(2H-tetrazol-5-ylmethyl)pyridine-2-sulfonamide
CID 103305294
N-ethyl-3-(propylamino)pyridine-2-sulfonamide
CID 103303728
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)pyridine-2-sulfonamide
CID 103306625
3-(ethylamino)-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-sulfonamide
CID 103304947
3-(ethylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-2-sulfonamide
CID 106376687
3-(ethylamino)-N-(2-methylsulfanylethyl)pyridine-2-sulfonamide
CID 103306115
3-(ethylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridine-2-sulfonamide
CID 106407708
3-(ethylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-sulfonamide
CID 103305089
3-(ethylamino)-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 103305421
2-hydroxy-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 81245663
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(ethylamino)pyridine-2-sulfonamide
CID 103304698

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide?
The IUPAC name of 3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide (CID 103306246) is 3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide is CCNc1cccnc1S(=O)(=O)NCc1ncn[nH]1.
What is the InChIKey of 3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide?
The InChIKey is ILGZTQNUYCJIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2S/c1-2-11-8-4-3-5-12-10(8)19(17,18)15-6-9-13-7-14-16-9/h3-5,7,11,15H,2,6H2,1H3,(H,13,14,16).
What are the key properties of 3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide?
3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide has a molecular weight of 282.33 g/mol, XLogP of 0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103306246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).