(6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C15H20FN5O2S — CID 97346645

IUPAC(6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN(C)S(=O)(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1
InChIInChI=1S/C15H20FN5O2S/c1-3-20(2)24(22,23)19-13-8-9-14-17-18-15(21(14)10-13)11-4-6-12(16)7-5-11/h4-7,13,19H,3,8-10H2,1-2H3/t13-/m1/s1
InChIKeyITBVRWPRCIULIL-CYBMUJFWSA-N
MW353.42 g/mol
LogP1.19
Rot. Bonds5

About (6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

(6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 97346645) has the molecular formula C15H20FN5O2S and a molecular weight of 353.42 g/mol. Its IUPAC name is (6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name(6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID97346645
Molecular FormulaC15H20FN5O2S
Molecular Weight353.42 g/mol
Exact Mass353.13
IUPAC Name(6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN(C)S(=O)(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1
InChIInChI=1S/C15H20FN5O2S/c1-3-20(2)24(22,23)19-13-8-9-14-17-18-15(21(14)10-13)11-4-6-12(16)7-5-11/h4-7,13,19H,3,8-10H2,1-2H3/t13-/m1/s1
InChIKeyITBVRWPRCIULIL-CYBMUJFWSA-N
XLogP1.19
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2,2-dimethylpropanamide
CID 97346541
1-ethyl-N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]cyclobutane-1-carboxamide
CID 136521813
N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(4-methoxyphenyl)acetamide
CID 136521812
2-(dimethylamino)-N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pyridine-3-carboxamide
CID 97346553
N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-2-(2-methoxyphenyl)acetamide
CID 97346535
N-[(6R)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]morpholine-4-carboxamide
CID 97346653
cis-(1R,3S)-3-[[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066761
1-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-pyridin-4-ylurea
CID 75475624
5-cyclopropyl-N-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-1-methylpyrazole-4-carboxamide
CID 127787077
5-[[(6S)-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]carbamoylamino]-2-methylbenzamide
CID 97346852
1-[3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-3-[(1R,2S)-2-naphthalen-2-ylcyclopropyl]urea
CID 154840938
3-(4-fluorophenyl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 75475511

Frequently Asked Questions

What is the IUPAC name of (6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of (6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 97346645) is (6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for (6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for (6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CCN(C)S(=O)(=O)N[C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1.
What is the InChIKey of (6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ITBVRWPRCIULIL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20FN5O2S/c1-3-20(2)24(22,23)19-13-8-9-14-17-18-15(21(14)10-13)11-4-6-12(16)7-5-11/h4-7,13,19H,3,8-10H2,1-2H3/t13-/m1/s1.
What are the key properties of (6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
(6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 353.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[[ethyl(methyl)sulfamoyl]amino]-3-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 97346645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).