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

C14H16N6O3S — CID 118728503

IUPAC3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2C
InChIInChI=1S/C14H16N6O3S/c1-4-23-11-6-5-9(24(15,21)22)7-10(11)13-16-12-8(2)19-20(3)14(12)18-17-13/h5-7H,4H2,1-3H3,(H2,15,21,22)
InChIKeyDRQAOQQVQRJQTC-UHFFFAOYSA-N
MW348.39 g/mol
LogP0.78
Rot. Bonds4

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

3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide (PubChem CID 118728503) has the molecular formula C14H16N6O3S and a molecular weight of 348.39 g/mol. Its IUPAC name is 3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound Name3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide
PubChem CID118728503
Molecular FormulaC14H16N6O3S
Molecular Weight348.39 g/mol
Exact Mass348.10
IUPAC Name3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2C
InChIInChI=1S/C14H16N6O3S/c1-4-23-11-6-5-9(24(15,21)22)7-10(11)13-16-12-8(2)19-20(3)14(12)18-17-13/h5-7H,4H2,1-3H3,(H2,15,21,22)
InChIKeyDRQAOQQVQRJQTC-UHFFFAOYSA-N
XLogP0.78
TPSA125.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide?
The IUPAC name of 3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide (CID 118728503) is 3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for 3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for 3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(N)(=O)=O)cc1-c1nnc2c(n1)c(C)nn2C.
What is the InChIKey of 3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide?
The InChIKey is DRQAOQQVQRJQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3S/c1-4-23-11-6-5-9(24(15,21)22)7-10(11)13-16-12-8(2)19-20(3)14(12)18-17-13/h5-7H,4H2,1-3H3,(H2,15,21,22).
What are the key properties of 3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide?
3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide has a molecular weight of 348.39 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethylpyrazolo[4,5-e][1,2,4]triazin-5-yl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 118728503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).