2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid

C8H10N4O2 — CID 67822134

IUPAC2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid
SMILESCCCc1nc2c(C(=O)O)cnn2[nH]1
InChIInChI=1S/C8H10N4O2/c1-2-3-6-10-7-5(8(13)14)4-9-12(7)11-6/h4H,2-3H2,1H3,(H,10,11)(H,13,14)
InChIKeyGFABBDWPEUPJMY-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.71
Rot. Bonds3

About 2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid

2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid (PubChem CID 67822134) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid.

Molecular Properties

Compound Name2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid
PubChem CID67822134
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid
SMILESCCCc1nc2c(C(=O)O)cnn2[nH]1
InChIInChI=1S/C8H10N4O2/c1-2-3-6-10-7-5(8(13)14)4-9-12(7)11-6/h4H,2-3H2,1H3,(H,10,11)(H,13,14)
InChIKeyGFABBDWPEUPJMY-UHFFFAOYSA-N
XLogP0.71
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-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 2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid?
The IUPAC name of 2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid (CID 67822134) is 2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid.
What is the SMILES notation for 2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid?
The canonical SMILES for 2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid is CCCc1nc2c(C(=O)O)cnn2[nH]1.
What is the InChIKey of 2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid?
The InChIKey is GFABBDWPEUPJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-2-3-6-10-7-5(8(13)14)4-9-12(7)11-6/h4H,2-3H2,1H3,(H,10,11)(H,13,14).
What are the key properties of 2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid?
2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid has a molecular weight of 194.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3H-pyrazolo[1,5-b][1,2,4]triazole-7-carboxylic acid is sourced from PubChem (CID 67822134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).