4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol

C11H10N4O4S — CID 139408904

IUPAC4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol
SMILESCc1ccc(-c2nc(S(C)(=O)=O)nc3c(O)cnn23)o1
InChIInChI=1S/C11H10N4O4S/c1-6-3-4-8(19-6)10-14-11(20(2,17)18)13-9-7(16)5-12-15(9)10/h3-5,16H,1-2H3
InChIKeyXXFMLXCASFYSMY-UHFFFAOYSA-N
MW294.29 g/mol
LogP0.80
Rot. Bonds2

About 4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol

4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol (PubChem CID 139408904) has the molecular formula C11H10N4O4S and a molecular weight of 294.29 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol
PubChem CID139408904
Molecular FormulaC11H10N4O4S
Molecular Weight294.29 g/mol
Exact Mass294.04
IUPAC Name4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol
SMILESCc1ccc(-c2nc(S(C)(=O)=O)nc3c(O)cnn23)o1
InChIInChI=1S/C11H10N4O4S/c1-6-3-4-8(19-6)10-14-11(20(2,17)18)13-9-7(16)5-12-15(9)10/h3-5,16H,1-2H3
InChIKeyXXFMLXCASFYSMY-UHFFFAOYSA-N
XLogP0.80
TPSA110.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol?
The IUPAC name of 4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol (CID 139408904) is 4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol?
The canonical SMILES for 4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol is Cc1ccc(-c2nc(S(C)(=O)=O)nc3c(O)cnn23)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol?
The InChIKey is XXFMLXCASFYSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S/c1-6-3-4-8(19-6)10-14-11(20(2,17)18)13-9-7(16)5-12-15(9)10/h3-5,16H,1-2H3.
What are the key properties of 4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol?
4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol has a molecular weight of 294.29 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-2-methylsulfonylpyrazolo[1,5-a][1,3,5]triazin-8-ol is sourced from PubChem (CID 139408904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).