2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

C6H6N4O2 — CID 175340559

IUPAC2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)C1NNc2ncncc21
InChIInChI=1S/C6H6N4O2/c11-6(12)4-3-1-7-2-8-5(3)10-9-4/h1-2,4,9H,(H,11,12)(H,7,8,10)
InChIKeyDGMBYWLVIDJURF-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.47
Rot. Bonds1

About 2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid

2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid (PubChem CID 175340559) has the molecular formula C6H6N4O2 and a molecular weight of 166.14 g/mol. Its IUPAC name is 2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
PubChem CID175340559
Molecular FormulaC6H6N4O2
Molecular Weight166.14 g/mol
Exact Mass166.05
IUPAC Name2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid
SMILESO=C(O)C1NNc2ncncc21
InChIInChI=1S/C6H6N4O2/c11-6(12)4-3-1-7-2-8-5(3)10-9-4/h1-2,4,9H,(H,11,12)(H,7,8,10)
InChIKeyDGMBYWLVIDJURF-UHFFFAOYSA-N
XLogP-0.47
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid (CID 175340559) is 2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid is O=C(O)C1NNc2ncncc21.
What is the InChIKey of 2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
The InChIKey is DGMBYWLVIDJURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4O2/c11-6(12)4-3-1-7-2-8-5(3)10-9-4/h1-2,4,9H,(H,11,12)(H,7,8,10).
What are the key properties of 2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid?
2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid has a molecular weight of 166.14 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-pyrazolo[3,4-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 175340559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).