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

C13H12N4O2 — CID 135424351

IUPAC1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2CCOc1ccccc1
InChIInChI=1S/C13H12N4O2/c18-13-11-8-16-17(12(11)14-9-15-13)6-7-19-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,14,15,18)
InChIKeyFIOIWWCELKTCMD-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.20
Rot. Bonds4

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

1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135424351) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135424351
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2CCOc1ccccc1
InChIInChI=1S/C13H12N4O2/c18-13-11-8-16-17(12(11)14-9-15-13)6-7-19-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,14,15,18)
InChIKeyFIOIWWCELKTCMD-UHFFFAOYSA-N
XLogP1.20
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135424351) is 1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1cnn2CCOc1ccccc1.
What is the InChIKey of 1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FIOIWWCELKTCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-13-11-8-16-17(12(11)14-9-15-13)6-7-19-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H,14,15,18).
What are the key properties of 1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 256.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135424351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).