(6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C15H20N4O3S — CID 95319786

IUPAC(6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOc1cccc(S(=O)(=O)CCN[C@@H]2CCc3ncnn3C2)c1
InChIInChI=1S/C15H20N4O3S/c1-22-13-3-2-4-14(9-13)23(20,21)8-7-16-12-5-6-15-17-11-18-19(15)10-12/h2-4,9,11-12,16H,5-8,10H2,1H3/t12-/m1/s1
InChIKeyOBNKDQODUADRGO-GFCCVEGCSA-N
MW336.42 g/mol
LogP0.67
Rot. Bonds6

About (6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95319786) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95319786
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCOc1cccc(S(=O)(=O)CCN[C@@H]2CCc3ncnn3C2)c1
InChIInChI=1S/C15H20N4O3S/c1-22-13-3-2-4-14(9-13)23(20,21)8-7-16-12-5-6-15-17-11-18-19(15)10-12/h2-4,9,11-12,16H,5-8,10H2,1H3/t12-/m1/s1
InChIKeyOBNKDQODUADRGO-GFCCVEGCSA-N
XLogP0.67
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

(2S)-1-(4-methoxyphenoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95323235
N-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 131002726
3-(cyclopropylmethylsulfamoyl)-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)benzamide
CID 126782451
N-[(4-methoxy-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 86893855
(6S)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95329007
(6S)-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95314021
1-(2-fluoro-5-methoxyphenyl)-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 99633384
N-[(3S)-1-[2-(3-methoxyphenyl)sulfonylethyl]piperidin-3-yl]acetamide
CID 95282014
(6S)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291259
N-(2-aminoethyl)-2-(3-methoxyphenyl)sulfonylacetamide
CID 64696966
(6R)-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291237
N-methyl-2-[2-[[[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]phenoxy]acetamide
CID 95291986

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95319786) is (6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is COc1cccc(S(=O)(=O)CCN[C@@H]2CCc3ncnn3C2)c1.
What is the InChIKey of (6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is OBNKDQODUADRGO-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-22-13-3-2-4-14(9-13)23(20,21)8-7-16-12-5-6-15-17-11-18-19(15)10-12/h2-4,9,11-12,16H,5-8,10H2,1H3/t12-/m1/s1.
What are the key properties of (6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 336.42 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[2-(3-methoxyphenyl)sulfonylethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95319786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).