3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide

C12H19F3N4O2S — CID 100675294

IUPAC3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide
SMILESCC(C)c1nnc2n1C[C@@H](NS(=O)(=O)CCC(F)(F)F)CC2
InChIInChI=1S/C12H19F3N4O2S/c1-8(2)11-17-16-10-4-3-9(7-19(10)11)18-22(20,21)6-5-12(13,14)15/h8-9,18H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyGTFARRIBRNNZPO-VIFPVBQESA-N
MW340.37 g/mol
LogP1.59
Rot. Bonds5

About 3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide

3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide (PubChem CID 100675294) has the molecular formula C12H19F3N4O2S and a molecular weight of 340.37 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide
PubChem CID100675294
Molecular FormulaC12H19F3N4O2S
Molecular Weight340.37 g/mol
Exact Mass340.12
IUPAC Name3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide
SMILESCC(C)c1nnc2n1C[C@@H](NS(=O)(=O)CCC(F)(F)F)CC2
InChIInChI=1S/C12H19F3N4O2S/c1-8(2)11-17-16-10-4-3-9(7-19(10)11)18-22(20,21)6-5-12(13,14)15/h8-9,18H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyGTFARRIBRNNZPO-VIFPVBQESA-N
XLogP1.59
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide with MolForge

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Related Compounds

3,3-dimethyl-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]butane-1-sulfonamide
CID 97344909
1-[(2R)-oxan-2-yl]-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanesulfonamide
CID 129398295
4-methyl-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]pentanamide
CID 97316005
2-methoxy-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]benzenesulfonamide
CID 97344920
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95342704
3,5-dimethyl-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)benzamide
CID 75480219
1-hydroxy-N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)cyclohexane-1-carboxamide
CID 75468562
1-(2-hydroxyethyl)-2-methyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)guanidine
CID 119152581
N-[(5-chlorothiophen-2-yl)methyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
CID 86772945
2-methyl-1-[2-(oxan-4-yl)ethyl]-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)guanidine
CID 119153951
2-chloro-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]ethanesulfonamide
CID 107651266
2-(2-methyl-1,3-thiazol-4-yl)-N-[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]acetamide
CID 95137616

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide?
The IUPAC name of 3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide (CID 100675294) is 3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide is CC(C)c1nnc2n1C[C@@H](NS(=O)(=O)CCC(F)(F)F)CC2.
What is the InChIKey of 3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide?
The InChIKey is GTFARRIBRNNZPO-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19F3N4O2S/c1-8(2)11-17-16-10-4-3-9(7-19(10)11)18-22(20,21)6-5-12(13,14)15/h8-9,18H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of 3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide?
3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide has a molecular weight of 340.37 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(6S)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propane-1-sulfonamide is sourced from PubChem (CID 100675294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).