[(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone

C17H21N5OS — CID 92651313

IUPAC[(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone
SMILESCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)N1CCCCC1)S2
InChIInChI=1S/C17H21N5OS/c1-12-18-19-17-22(12)20-14(13-8-4-2-5-9-13)15(24-17)16(23)21-10-6-3-7-11-21/h2,4-5,8-9,14-15,20H,3,6-7,10-11H2,1H3/t14-,15-/m1/s1
InChIKeyTYFOMYTUOQLFTG-HUUCEWRRSA-N
MW343.46 g/mol
LogP2.36
Rot. Bonds2

About [(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone

[(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone (PubChem CID 92651313) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is [(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone
PubChem CID92651313
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name[(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone
SMILESCc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)N1CCCCC1)S2
InChIInChI=1S/C17H21N5OS/c1-12-18-19-17-22(12)20-14(13-8-4-2-5-9-13)15(24-17)16(23)21-10-6-3-7-11-21/h2,4-5,8-9,14-15,20H,3,6-7,10-11H2,1H3/t14-,15-/m1/s1
InChIKeyTYFOMYTUOQLFTG-HUUCEWRRSA-N
XLogP2.36
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone?
The IUPAC name of [(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone (CID 92651313) is [(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone is Cc1nnc2n1N[C@H](c1ccccc1)[C@H](C(=O)N1CCCCC1)S2.
What is the InChIKey of [(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone?
The InChIKey is TYFOMYTUOQLFTG-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H21N5OS/c1-12-18-19-17-22(12)20-14(13-8-4-2-5-9-13)15(24-17)16(23)21-10-6-3-7-11-21/h2,4-5,8-9,14-15,20H,3,6-7,10-11H2,1H3/t14-,15-/m1/s1.
What are the key properties of [(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone?
[(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone has a molecular weight of 343.46 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R,7R)-3-methyl-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 92651313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).