1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine

C7H9N5O2S — CID 50741845

IUPAC1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine
SMILESCc1nn(C)c2nnc(S(C)(=O)=O)nc12
InChIInChI=1S/C7H9N5O2S/c1-4-5-6(12(2)11-4)9-10-7(8-5)15(3,13)14/h1-3H3
InChIKeyVSPGUBFMZHURBC-UHFFFAOYSA-N
MW227.25 g/mol
LogP-0.53
Rot. Bonds1

About 1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine

1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine (PubChem CID 50741845) has the molecular formula C7H9N5O2S and a molecular weight of 227.25 g/mol. Its IUPAC name is 1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine.

Molecular Properties

Compound Name1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine
PubChem CID50741845
Molecular FormulaC7H9N5O2S
Molecular Weight227.25 g/mol
Exact Mass227.05
IUPAC Name1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine
SMILESCc1nn(C)c2nnc(S(C)(=O)=O)nc12
InChIInChI=1S/C7H9N5O2S/c1-4-5-6(12(2)11-4)9-10-7(8-5)15(3,13)14/h1-3H3
InChIKeyVSPGUBFMZHURBC-UHFFFAOYSA-N
XLogP-0.53
TPSA90.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine?
The IUPAC name of 1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine (CID 50741845) is 1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine.
What is the SMILES notation for 1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine?
The canonical SMILES for 1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine is Cc1nn(C)c2nnc(S(C)(=O)=O)nc12.
What is the InChIKey of 1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine?
The InChIKey is VSPGUBFMZHURBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O2S/c1-4-5-6(12(2)11-4)9-10-7(8-5)15(3,13)14/h1-3H3.
What are the key properties of 1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine?
1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine has a molecular weight of 227.25 g/mol, XLogP of -0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-methylsulfonylpyrazolo[4,5-e][1,2,4]triazine is sourced from PubChem (CID 50741845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).