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

C7H8N4O2 — CID 135408778

IUPAC1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2CCO
InChIInChI=1S/C7H8N4O2/c12-2-1-11-6-5(3-10-11)7(13)9-4-8-6/h3-4,12H,1-2H2,(H,8,9,13)
InChIKeyXUYUXVGUZXUGLJ-UHFFFAOYSA-N
MW180.17 g/mol
LogP-0.89
Rot. Bonds2

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

1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135408778) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135408778
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1[nH]cnc2c1cnn2CCO
InChIInChI=1S/C7H8N4O2/c12-2-1-11-6-5(3-10-11)7(13)9-4-8-6/h3-4,12H,1-2H2,(H,8,9,13)
InChIKeyXUYUXVGUZXUGLJ-UHFFFAOYSA-N
XLogP-0.89
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-Dimethyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 219764
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-tert-butyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135876286
1,6-dimethyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135457239
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
2-(4-oxo-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-1-yl)acetic acid
CID 135962910

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135408778) is 1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is O=c1[nH]cnc2c1cnn2CCO.
What is the InChIKey of 1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XUYUXVGUZXUGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c12-2-1-11-6-5(3-10-11)7(13)9-4-8-6/h3-4,12H,1-2H2,(H,8,9,13).
What are the key properties of 1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 180.17 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135408778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).