6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

C10H17N3O2S — CID 118489337

IUPAC6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2n1CC(S(C)(=O)=O)CC2
InChIInChI=1S/C10H17N3O2S/c1-7(2)10-12-11-9-5-4-8(6-13(9)10)16(3,14)15/h7-8H,4-6H2,1-3H3
InChIKeyVONMZVAPGVRHBQ-UHFFFAOYSA-N
MW243.33 g/mol
LogP0.76
Rot. Bonds2

About 6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine

6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 118489337) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID118489337
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)c1nnc2n1CC(S(C)(=O)=O)CC2
InChIInChI=1S/C10H17N3O2S/c1-7(2)10-12-11-9-5-4-8(6-13(9)10)16(3,14)15/h7-8H,4-6H2,1-3H3
InChIKeyVONMZVAPGVRHBQ-UHFFFAOYSA-N
XLogP0.76
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

(3R)-3-(6,6-dimethyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyridin-3-yl)thiolane 1,1-dioxide
CID 164634378
3-Methylsulfonyl-1-[6-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-amine
CID 81234629
3-[[6-(Trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]thiolane 1,1-dioxide
CID 167948817
4-{[4-methyl-5-(methylthio)-4H-1,2,4-triazol-3-yl]methyl}-1-(propylsulfonyl)piperidine
CID 50948725
3-[4-methyl-5-(piperidin-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-[2-(methylsulfonyl)ethyl]piperidine
CID 119066922
2,8,8-Trimethyl-5,6-dihydro-[1,2,4]triazolo[5,1-c][1,4]thiazine 7,7-dioxide
CID 58259659
3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine
CID 58783656
3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazine
CID 58783687
3,8,8-Trimethyl-5,6-dihydro-[1,2,4]triazolo[3,4-c][1,4]thiazine 7,7-dioxide
CID 59299801
7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 118489329
3-Methyl-6-methylsulfonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 118491676
6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
CID 118684218

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine (CID 118489337) is 6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is CC(C)c1nnc2n1CC(S(C)(=O)=O)CC2.
What is the InChIKey of 6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is VONMZVAPGVRHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(2)10-12-11-9-5-4-8(6-13(9)10)16(3,14)15/h7-8H,4-6H2,1-3H3.
What are the key properties of 6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine?
6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 243.33 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfonyl-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 118489337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).