2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid

C7H6N4O3 — CID 135962910

IUPAC2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C7H6N4O3/c12-5(13)2-11-6-4(1-10-11)7(14)9-3-8-6/h1,3H,2H2,(H,12,13)(H,8,9,14)
InChIKeyCSTPQBYWSUAIOA-UHFFFAOYSA-N
MW194.15 g/mol
LogP-0.80
Rot. Bonds2

About 2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid

2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid (PubChem CID 135962910) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid
PubChem CID135962910
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid
SMILESO=C(O)Cn1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C7H6N4O3/c12-5(13)2-11-6-4(1-10-11)7(14)9-3-8-6/h1,3H,2H2,(H,12,13)(H,8,9,14)
InChIKeyCSTPQBYWSUAIOA-UHFFFAOYSA-N
XLogP-0.80
TPSA100.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-Methyl-1,5-dihydropyrazolo(3,4-d)pyrimidin-4-one
CID 135439714
5-Amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide
CID 223690
6-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4(7H)-one
CID 135408748
1-(2-hydroxyethyl)-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408778
1-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
1-Butyryl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135775438
1-Propanoyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135412639
1-acetyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135535880
2-(1-methyl-4-oxo-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-5-yl)acetic acid
CID 16227403
6-chloro-1-methyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135484677
1-ethyl-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135973583
1-cyclopropyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 136559906

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid (CID 135962910) is 2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid is O=C(O)Cn1ncc2c(=O)[nH]cnc21.
What is the InChIKey of 2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid?
The InChIKey is CSTPQBYWSUAIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c12-5(13)2-11-6-4(1-10-11)7(14)9-3-8-6/h1,3H,2H2,(H,12,13)(H,8,9,14).
What are the key properties of 2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid?
2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid has a molecular weight of 194.15 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)acetic acid is sourced from PubChem (CID 135962910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).