1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C8H10N4O3 — CID 135453822

IUPAC1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2COCCO
InChIInChI=1S/C8H10N4O3/c13-1-2-15-5-12-7-6(3-11-12)8(14)10-4-9-7/h3-4,13H,1-2,5H2,(H,9,10,14)
InChIKeyGJTABRDQPPFRFO-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.91
Rot. Bonds4

About 1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135453822) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135453822
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2COCCO
InChIInChI=1S/C8H10N4O3/c13-1-2-15-5-12-7-6(3-11-12)8(14)10-4-9-7/h3-4,13H,1-2,5H2,(H,9,10,14)
InChIKeyGJTABRDQPPFRFO-UHFFFAOYSA-N
XLogP-0.91
TPSA93.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135453822) is 1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1cnn2COCCO.
What is the InChIKey of 1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GJTABRDQPPFRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c13-1-2-15-5-12-7-6(3-11-12)8(14)10-4-9-7/h3-4,13H,1-2,5H2,(H,9,10,14).
What are the key properties of 1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 210.19 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135453822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).