4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine

C8H9ClN4O2S — CID 59942107

IUPAC4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine
SMILESCc1nc(Cl)n2nc(C)c(S(C)(=O)=O)c2n1
InChIInChI=1S/C8H9ClN4O2S/c1-4-6(16(3,14)15)7-10-5(2)11-8(9)13(7)12-4/h1-3H3
InChIKeyWKHNIRDMWFGNRO-UHFFFAOYSA-N
MW260.71 g/mol
LogP0.80
Rot. Bonds1

About 4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine

4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 59942107) has the molecular formula C8H9ClN4O2S and a molecular weight of 260.71 g/mol. Its IUPAC name is 4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID59942107
Molecular FormulaC8H9ClN4O2S
Molecular Weight260.71 g/mol
Exact Mass260.01
IUPAC Name4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine
SMILESCc1nc(Cl)n2nc(C)c(S(C)(=O)=O)c2n1
InChIInChI=1S/C8H9ClN4O2S/c1-4-6(16(3,14)15)7-10-5(2)11-8(9)13(7)12-4/h1-3H3
InChIKeyWKHNIRDMWFGNRO-UHFFFAOYSA-N
XLogP0.80
TPSA77.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.71
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine (CID 59942107) is 4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine is Cc1nc(Cl)n2nc(C)c(S(C)(=O)=O)c2n1.
What is the InChIKey of 4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is WKHNIRDMWFGNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2S/c1-4-6(16(3,14)15)7-10-5(2)11-8(9)13(7)12-4/h1-3H3.
What are the key properties of 4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine?
4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 260.71 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,7-dimethyl-8-methylsulfonylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 59942107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).