2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine

C11H14N4O3S — CID 828746

IUPAC2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)n1nc(-c2ccc(OC)cc2)nc1N
InChIInChI=1S/C11H14N4O3S/c1-3-19(16,17)15-11(12)13-10(14-15)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H2,12,13,14)
InChIKeyZKLAMAHHMCVJPI-UHFFFAOYSA-N
MW282.33 g/mol
LogP0.73
Rot. Bonds4

About 2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine

2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine (PubChem CID 828746) has the molecular formula C11H14N4O3S and a molecular weight of 282.33 g/mol. Its IUPAC name is 2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine
PubChem CID828746
Molecular FormulaC11H14N4O3S
Molecular Weight282.33 g/mol
Exact Mass282.08
IUPAC Name2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine
SMILESCCS(=O)(=O)n1nc(-c2ccc(OC)cc2)nc1N
InChIInChI=1S/C11H14N4O3S/c1-3-19(16,17)15-11(12)13-10(14-15)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H2,12,13,14)
InChIKeyZKLAMAHHMCVJPI-UHFFFAOYSA-N
XLogP0.73
TPSA100.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-Methoxyphenyl)-4H-1,2,4-triazol-3-amine
CID 781002
N-[5-(4-Methoxy-phenyl)-4H-[1,2,4]triazol-3-yl]-2-methyl-2-(tetrahydro-pyran-4-sulfonyl)-propionamide
CID 45256135
5-(benzylthio)-3-(4-methoxyphenyl)-1-(methylsulfonyl)-1H-1,2,4-triazole
CID 1288384
4H-1,2,4-Triazole, 3-(4-methoxyphenyl)-4-methyl-5-(methylthio)-
CID 647629
5-(4-propoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 3239895
3-(diethylamino)-N-[(1R)-1-[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]-3-phenylpropyl]propane-1-sulfonamide
CID 25032438
3-(benzylsulfanyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-4-amine
CID 662589
5-(4-Methoxyphenyl)-3-[(3-methylphenyl)methylthio]-1,2,4-triazole-4-ylamine
CID 734284
1-acetyl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
CID 753273
1-butyryl-3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-amine
CID 753275
3-(4-methoxyphenyl)-1-[(4-methylphenyl)sulfonyl]-1H-1,2,4-triazol-5-amine
CID 895491
3-(4-Methoxy-phenyl)-5-(2-methyl-allylsulfanyl)-[1,2,4]triazol-4-ylamine
CID 936197

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine (CID 828746) is 2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine is CCS(=O)(=O)n1nc(-c2ccc(OC)cc2)nc1N.
What is the InChIKey of 2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine?
The InChIKey is ZKLAMAHHMCVJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O3S/c1-3-19(16,17)15-11(12)13-10(14-15)8-4-6-9(18-2)7-5-8/h4-7H,3H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine?
2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine has a molecular weight of 282.33 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 828746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).