5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole

C15H16N8S — CID 67256809

IUPAC5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(CCc3nc(-c4cncs4)nn3C)nc12
InChIInChI=1S/C15H16N8S/c1-9-6-17-10(2)15-18-12(20-23(9)15)4-5-13-19-14(21-22(13)3)11-7-16-8-24-11/h6-8H,4-5H2,1-3H3
InChIKeyXUXOUMVWAGJDKJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.78
Rot. Bonds4

About 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole

5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole (PubChem CID 67256809) has the molecular formula C15H16N8S and a molecular weight of 340.42 g/mol. Its IUPAC name is 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
PubChem CID67256809
Molecular FormulaC15H16N8S
Molecular Weight340.42 g/mol
Exact Mass340.12
IUPAC Name5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole
SMILESCc1ncc(C)n2nc(CCc3nc(-c4cncs4)nn3C)nc12
InChIInChI=1S/C15H16N8S/c1-9-6-17-10(2)15-18-12(20-23(9)15)4-5-13-19-14(21-22(13)3)11-7-16-8-24-11/h6-8H,4-5H2,1-3H3
InChIKeyXUXOUMVWAGJDKJ-UHFFFAOYSA-N
XLogP1.78
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole?
The IUPAC name of 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole (CID 67256809) is 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole.
What is the SMILES notation for 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole?
The canonical SMILES for 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole is Cc1ncc(C)n2nc(CCc3nc(-c4cncs4)nn3C)nc12.
What is the InChIKey of 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole?
The InChIKey is XUXOUMVWAGJDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N8S/c1-9-6-17-10(2)15-18-12(20-23(9)15)4-5-13-19-14(21-22(13)3)11-7-16-8-24-11/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole?
5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole has a molecular weight of 340.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methyl-1,2,4-triazol-3-yl]-1,3-thiazole is sourced from PubChem (CID 67256809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).