(3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

C22H23Cl2N7O2S — CID 162353799

About (3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone

(3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 162353799) has the molecular formula C22H23Cl2N7O2S and a molecular weight of 520.45 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

• Compound Name: (3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• PubChem CID: 162353799
• Molecular Formula: C22H23Cl2N7O2S
• Molecular Weight: 520.45 g/mol
• Exact Mass: 519.10
• IUPAC Name: (3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
• SMILES: Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3CCN2CC3(COC3)C2)n1
• InChI: InChI=1S/C22H23Cl2N7O2S/c1-13-25-20(34-28-13)19-27-26-18-17(4-5-29-9-22(10-29)11-33-12-22)30(6-7-31(18)19)21(32)14-2-3-15(23)16(24)8-14/h2-3,8,17H,4-7,9-12H2,1H3
• InChIKey: VJLYHZBQMZXNMJ-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 89.27 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.45
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The IUPAC name of (3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (CID 162353799) is (3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

What is the SMILES notation for (3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The canonical SMILES for (3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(Cl)c(Cl)c2)C3CCN2CC3(COC3)C2)n1.

What is the InChIKey of (3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

The InChIKey is VJLYHZBQMZXNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N7O2S/c1-13-25-20(34-28-13)19-27-26-18-17(4-5-29-9-22(10-29)11-33-12-22)30(6-7-31(18)19)21(32)14-2-3-15(23)16(24)8-14/h2-3,8,17H,4-7,9-12H2,1H3.

What are the key properties of (3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?

(3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 520.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (3,4-dichlorophenyl)-[3-(3-methyl-1,2,4-thiadiazol-5-yl)-8-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 162353799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).