6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C17H12N8OS — CID 30374465

IUPAC6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2cc(-c3nn4c(-c5cnccn5)nnc4s3)[nH]n2)cc1
InChIInChI=1S/C17H12N8OS/c1-26-11-4-2-10(3-5-11)12-8-13(21-20-12)16-24-25-15(22-23-17(25)27-16)14-9-18-6-7-19-14/h2-9H,1H3,(H,20,21)
InChIKeyBRNLCDZXSJAQQO-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.71
Rot. Bonds4

About 6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 30374465) has the molecular formula C17H12N8OS and a molecular weight of 376.41 g/mol. Its IUPAC name is 6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID30374465
Molecular FormulaC17H12N8OS
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2cc(-c3nn4c(-c5cnccn5)nnc4s3)[nH]n2)cc1
InChIInChI=1S/C17H12N8OS/c1-26-11-4-2-10(3-5-11)12-8-13(21-20-12)16-24-25-15(22-23-17(25)27-16)14-9-18-6-7-19-14/h2-9H,1H3,(H,20,21)
InChIKeyBRNLCDZXSJAQQO-UHFFFAOYSA-N
XLogP2.71
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-(4-methylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30374222
6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30374320
3-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-6-(4-nitrophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30372713
6-(4-chlorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 5306693
6-(5-tert-butyl-1H-pyrazol-3-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45491571
3-phenyl-6-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373904
6-(2,4-dimethoxyphenyl)-3-(3-phenyl-1H-pyrazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30372277
3-(4-bromophenyl)-6-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 25239862
6-(4-fluorophenyl)-3-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 854617
3-(4-fluorophenyl)-6-(4-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 666433
6-(2,4-difluorophenyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 16766001
6-(1-methyl-3-propan-2-ylpyrazol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 46949658

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 30374465) is 6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1ccc(-c2cc(-c3nn4c(-c5cnccn5)nnc4s3)[nH]n2)cc1.
What is the InChIKey of 6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is BRNLCDZXSJAQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N8OS/c1-26-11-4-2-10(3-5-11)12-8-13(21-20-12)16-24-25-15(22-23-17(25)27-16)14-9-18-6-7-19-14/h2-9H,1H3,(H,20,21).
What are the key properties of 6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 376.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 30374465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).