4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide

C20H20N6O3S — CID 122179846

IUPAC4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1
InChIInChI=1S/C20H20N6O3S/c1-4-29-17-10-9-15(30(21,27)28)11-16(17)19-22-18-13(3)25-26(20(18)24-23-19)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H2,21,27,28)
InChIKeyJVXZMBUDPUAFTH-UHFFFAOYSA-N
MW424.49 g/mol
LogP2.54
Rot. Bonds5

About 4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide

4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide (PubChem CID 122179846) has the molecular formula C20H20N6O3S and a molecular weight of 424.49 g/mol. Its IUPAC name is 4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide
PubChem CID122179846
Molecular FormulaC20H20N6O3S
Molecular Weight424.49 g/mol
Exact Mass424.13
IUPAC Name4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1
InChIInChI=1S/C20H20N6O3S/c1-4-29-17-10-9-15(30(21,27)28)11-16(17)19-22-18-13(3)25-26(20(18)24-23-19)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H2,21,27,28)
InChIKeyJVXZMBUDPUAFTH-UHFFFAOYSA-N
XLogP2.54
TPSA125.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide (CID 122179846) is 4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide is CCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2-c1ccc(C)cc1.
What is the InChIKey of 4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide?
The InChIKey is JVXZMBUDPUAFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3S/c1-4-29-17-10-9-15(30(21,27)28)11-16(17)19-22-18-13(3)25-26(20(18)24-23-19)14-7-5-12(2)6-8-14/h5-11H,4H2,1-3H3,(H2,21,27,28).
What are the key properties of 4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide?
4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide has a molecular weight of 424.49 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-[3-methyl-1-(4-methylphenyl)pyrazolo[4,5-e][1,2,4]triazin-5-yl]benzenesulfonamide is sourced from PubChem (CID 122179846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).