N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C17H24N4O2S — CID 91651140

IUPACN-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCS(=O)(=O)c1ccc(NC2CCc3nc(C(C)C)nn3C2)cc1
InChIInChI=1S/C17H24N4O2S/c1-4-24(22,23)15-8-5-13(6-9-15)18-14-7-10-16-19-17(12(2)3)20-21(16)11-14/h5-6,8-9,12,14,18H,4,7,10-11H2,1-3H3
InChIKeyAUJXCYJCQLBQHT-UHFFFAOYSA-N
MW348.47 g/mol
LogP2.62
Rot. Bonds5

About N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 91651140) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID91651140
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC NameN-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCS(=O)(=O)c1ccc(NC2CCc3nc(C(C)C)nn3C2)cc1
InChIInChI=1S/C17H24N4O2S/c1-4-24(22,23)15-8-5-13(6-9-15)18-14-7-10-16-19-17(12(2)3)20-21(16)11-14/h5-6,8-9,12,14,18H,4,7,10-11H2,1-3H3
InChIKeyAUJXCYJCQLBQHT-UHFFFAOYSA-N
XLogP2.62
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 91651140) is N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCS(=O)(=O)c1ccc(NC2CCc3nc(C(C)C)nn3C2)cc1.
What is the InChIKey of N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is AUJXCYJCQLBQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-4-24(22,23)15-8-5-13(6-9-15)18-14-7-10-16-19-17(12(2)3)20-21(16)11-14/h5-6,8-9,12,14,18H,4,7,10-11H2,1-3H3.
What are the key properties of N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 348.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylsulfonylphenyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 91651140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).