azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone

C11H15N5OS — CID 110384860

IUPACazepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
SMILESCc1nnc2sc(C(=O)N3CCCCCC3)nn12
InChIInChI=1S/C11H15N5OS/c1-8-12-13-11-16(8)14-9(18-11)10(17)15-6-4-2-3-5-7-15/h2-7H2,1H3
InChIKeyPDRVJRKIHWKFIY-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.51
Rot. Bonds1

About azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone

azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone (PubChem CID 110384860) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
PubChem CID110384860
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Nameazepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone
SMILESCc1nnc2sc(C(=O)N3CCCCCC3)nn12
InChIInChI=1S/C11H15N5OS/c1-8-12-13-11-16(8)14-9(18-11)10(17)15-6-4-2-3-5-7-15/h2-7H2,1H3
InChIKeyPDRVJRKIHWKFIY-UHFFFAOYSA-N
XLogP1.51
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The IUPAC name of azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone (CID 110384860) is azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone.
What is the SMILES notation for azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The canonical SMILES for azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone is Cc1nnc2sc(C(=O)N3CCCCCC3)nn12.
What is the InChIKey of azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
The InChIKey is PDRVJRKIHWKFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-8-12-13-11-16(8)14-9(18-11)10(17)15-6-4-2-3-5-7-15/h2-7H2,1H3.
What are the key properties of azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone?
azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone has a molecular weight of 265.34 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)methanone is sourced from PubChem (CID 110384860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).