1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C8H10N4O2 — CID 135408738

IUPAC1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C8H10N4O2/c1-5-10-7-6(8(14)11-5)4-9-12(7)2-3-13/h4,13H,2-3H2,1H3,(H,10,11,14)
InChIKeyXVNFYIZOKKNQBU-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.58
Rot. Bonds2

About 1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135408738) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135408738
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2CCO)c(=O)[nH]1
InChIInChI=1S/C8H10N4O2/c1-5-10-7-6(8(14)11-5)4-9-12(7)2-3-13/h4,13H,2-3H2,1H3,(H,10,11,14)
InChIKeyXVNFYIZOKKNQBU-UHFFFAOYSA-N
XLogP-0.58
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.58
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
1,6-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
6-(chloromethyl)-1-methyl-1H,4H,5H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135783154

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135408738) is 1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2CCO)c(=O)[nH]1.
What is the InChIKey of 1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is XVNFYIZOKKNQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-5-10-7-6(8(14)11-5)4-9-12(7)2-3-13/h4,13H,2-3H2,1H3,(H,10,11,14).
What are the key properties of 1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 194.19 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135408738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).