3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid

C7H7N5O2 — CID 83818249

IUPAC3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid
SMILESCc1nc2c(N)[nH]nc2nc1C(=O)O
InChIInChI=1S/C7H7N5O2/c1-2-3(7(13)14)10-6-4(9-2)5(8)11-12-6/h1H3,(H,13,14)(H3,8,10,11,12)
InChIKeyOGZLIKGROPRREA-UHFFFAOYSA-N
MW193.17 g/mol
LogP-0.06
Rot. Bonds1

About 3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid

3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid (PubChem CID 83818249) has the molecular formula C7H7N5O2 and a molecular weight of 193.17 g/mol. Its IUPAC name is 3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid
PubChem CID83818249
Molecular FormulaC7H7N5O2
Molecular Weight193.17 g/mol
Exact Mass193.06
IUPAC Name3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid
SMILESCc1nc2c(N)[nH]nc2nc1C(=O)O
InChIInChI=1S/C7H7N5O2/c1-2-3(7(13)14)10-6-4(9-2)5(8)11-12-6/h1H3,(H,13,14)(H3,8,10,11,12)
InChIKeyOGZLIKGROPRREA-UHFFFAOYSA-N
XLogP-0.06
TPSA117.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid?
The IUPAC name of 3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid (CID 83818249) is 3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid.
What is the SMILES notation for 3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid?
The canonical SMILES for 3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid is Cc1nc2c(N)[nH]nc2nc1C(=O)O.
What is the InChIKey of 3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid?
The InChIKey is OGZLIKGROPRREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O2/c1-2-3(7(13)14)10-6-4(9-2)5(8)11-12-6/h1H3,(H,13,14)(H3,8,10,11,12).
What are the key properties of 3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid?
3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid has a molecular weight of 193.17 g/mol, XLogP of -0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-2H-pyrazolo[3,4-b]pyrazine-6-carboxylic acid is sourced from PubChem (CID 83818249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).