8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

C16H14N4O4 — CID 90183154

IUPAC8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
SMILESCc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H14N4O4/c1-8-13(10-3-4-11-12(7-10)24-6-5-23-11)15-18-17-14(16(21)22)9(2)20(15)19-8/h3-4,7H,5-6H2,1-2H3,(H,21,22)
InChIKeyYTJIEIRRDQTQSH-UHFFFAOYSA-N
MW326.31 g/mol
LogP1.88
Rot. Bonds2

About 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid

8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (PubChem CID 90183154) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.

Molecular Properties

Compound Name8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
PubChem CID90183154
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
SMILESCc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H14N4O4/c1-8-13(10-3-4-11-12(7-10)24-6-5-23-11)15-18-17-14(16(21)22)9(2)20(15)19-8/h3-4,7H,5-6H2,1-2H3,(H,21,22)
InChIKeyYTJIEIRRDQTQSH-UHFFFAOYSA-N
XLogP1.88
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
The IUPAC name of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid (CID 90183154) is 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid.
What is the SMILES notation for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
The canonical SMILES for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is Cc1nn2c(C)c(C(=O)O)nnc2c1-c1ccc2c(c1)OCCO2.
What is the InChIKey of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
The InChIKey is YTJIEIRRDQTQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-8-13(10-3-4-11-12(7-10)24-6-5-23-11)15-18-17-14(16(21)22)9(2)20(15)19-8/h3-4,7H,5-6H2,1-2H3,(H,21,22).
What are the key properties of 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid?
8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid has a molecular weight of 326.31 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid is sourced from PubChem (CID 90183154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).