5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole

C17H14N8O2S — CID 22629141

IUPAC5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole
SMILESCc1cc(-c2nncc3c(-c4ccsc4)c(OCc4ncnn4C)nn23)no1
InChIInChI=1S/C17H14N8O2S/c1-10-5-12(23-27-10)16-21-19-6-13-15(11-3-4-28-8-11)17(22-25(13)16)26-7-14-18-9-20-24(14)2/h3-6,8-9H,7H2,1-2H3
InChIKeyQNXDCVDBCFRVMI-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.52
Rot. Bonds5

About 5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole

5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole (PubChem CID 22629141) has the molecular formula C17H14N8O2S and a molecular weight of 394.42 g/mol. Its IUPAC name is 5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole
PubChem CID22629141
Molecular FormulaC17H14N8O2S
Molecular Weight394.42 g/mol
Exact Mass394.10
IUPAC Name5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole
SMILESCc1cc(-c2nncc3c(-c4ccsc4)c(OCc4ncnn4C)nn23)no1
InChIInChI=1S/C17H14N8O2S/c1-10-5-12(23-27-10)16-21-19-6-13-15(11-3-4-28-8-11)17(22-25(13)16)26-7-14-18-9-20-24(14)2/h3-6,8-9H,7H2,1-2H3
InChIKeyQNXDCVDBCFRVMI-UHFFFAOYSA-N
XLogP2.52
TPSA109.05 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole (CID 22629141) is 5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole is Cc1cc(-c2nncc3c(-c4ccsc4)c(OCc4ncnn4C)nn23)no1.
What is the InChIKey of 5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole?
The InChIKey is QNXDCVDBCFRVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O2S/c1-10-5-12(23-27-10)16-21-19-6-13-15(11-3-4-28-8-11)17(22-25(13)16)26-7-14-18-9-20-24(14)2/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole?
5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole has a molecular weight of 394.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazin-7-yl]-1,2-oxazole is sourced from PubChem (CID 22629141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).