4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine

C18H22N6O4S — CID 90675935

IUPAC4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc2c(n1)c(C)nn2C
InChIInChI=1S/C18H22N6O4S/c1-4-28-15-6-5-13(29(25,26)24-7-9-27-10-8-24)11-14(15)17-19-16-12(2)22-23(3)18(16)21-20-17/h5-6,11H,4,7-10H2,1-3H3
InChIKeyXWGMUVNKTWJMLI-UHFFFAOYSA-N
MW418.48 g/mol
LogP1.15
Rot. Bonds5

About 4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine

4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine (PubChem CID 90675935) has the molecular formula C18H22N6O4S and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine
PubChem CID90675935
Molecular FormulaC18H22N6O4S
Molecular Weight418.48 g/mol
Exact Mass418.14
IUPAC Name4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine
SMILESCCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc2c(n1)c(C)nn2C
InChIInChI=1S/C18H22N6O4S/c1-4-28-15-6-5-13(29(25,26)24-7-9-27-10-8-24)11-14(15)17-19-16-12(2)22-23(3)18(16)21-20-17/h5-6,11H,4,7-10H2,1-3H3
InChIKeyXWGMUVNKTWJMLI-UHFFFAOYSA-N
XLogP1.15
TPSA112.33 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[4-[4-Methoxy-3-(6-methyl-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)phenyl]sulfonylpiperazin-1-yl]ethanol
CID 2043852
5-[2-Ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1-methyl-3-propylpyrazolo[4,5-e][1,2,4]triazine
CID 72543811
6-Ethyl-7-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3227250
5-[2-Ethoxy-5-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
CID 90675933
5-(2-Ethoxy-5-piperazin-1-ylsulfonylphenyl)-1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
CID 90675934
5-(2-Ethoxy-5-piperidin-1-ylsulfonylphenyl)-1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
CID 90675936
5-(2-Ethoxy-5-pyrrolidin-1-ylsulfonylphenyl)-1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
CID 90675937
5-[5-(1,4-Diazepan-1-ylsulfonyl)-2-ethoxyphenyl]-1,3-dimethylpyrazolo[4,5-e][1,2,4]triazine
CID 90675938
N-(2-aminoethyl)-3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide
CID 90675939
3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 90675940
3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxy-N-(2-hydroxyethyl)benzenesulfonamide
CID 90675941
3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxy-N,N-diethylbenzenesulfonamide
CID 118722001

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine?
The IUPAC name of 4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine (CID 90675935) is 4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine is CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1nnc2c(n1)c(C)nn2C.
What is the InChIKey of 4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine?
The InChIKey is XWGMUVNKTWJMLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O4S/c1-4-28-15-6-5-13(29(25,26)24-7-9-27-10-8-24)11-14(15)17-19-16-12(2)22-23(3)18(16)21-20-17/h5-6,11H,4,7-10H2,1-3H3.
What are the key properties of 4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine?
4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine has a molecular weight of 418.48 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxyphenyl]sulfonylmorpholine is sourced from PubChem (CID 90675935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).