2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid

C7H6N4O3 — CID 135767185

IUPAC2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cc1[nH]nc2nc[nH]c(=O)c12
InChIInChI=1S/C7H6N4O3/c12-4(13)1-3-5-6(11-10-3)8-2-9-7(5)14/h2H,1H2,(H,12,13)(H2,8,9,10,11,14)
InChIKeyJACQPFHSGVCDTF-UHFFFAOYSA-N
MW194.15 g/mol
LogP-0.73
Rot. Bonds2

About 2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid

2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid (PubChem CID 135767185) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid
PubChem CID135767185
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid
SMILESO=C(O)Cc1[nH]nc2nc[nH]c(=O)c12
InChIInChI=1S/C7H6N4O3/c12-4(13)1-3-5-6(11-10-3)8-2-9-7(5)14/h2H,1H2,(H,12,13)(H2,8,9,10,11,14)
InChIKeyJACQPFHSGVCDTF-UHFFFAOYSA-N
XLogP-0.73
TPSA111.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid (CID 135767185) is 2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid is O=C(O)Cc1[nH]nc2nc[nH]c(=O)c12.
What is the InChIKey of 2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid?
The InChIKey is JACQPFHSGVCDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c12-4(13)1-3-5-6(11-10-3)8-2-9-7(5)14/h2H,1H2,(H,12,13)(H2,8,9,10,11,14).
What are the key properties of 2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid?
2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid has a molecular weight of 194.15 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 135767185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).