7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione

C10H14N4O3 — CID 70531747

IUPAC7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCCn1c(=O)n(C)c(=O)c2cn(CCO)nc21
InChIInChI=1S/C10H14N4O3/c1-3-14-8-7(6-13(11-8)4-5-15)9(16)12(2)10(14)17/h6,15H,3-5H2,1-2H3
InChIKeyWRHZGAHAFLPEHF-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.09
Rot. Bonds3

About 7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione

7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione (PubChem CID 70531747) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Name7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione
PubChem CID70531747
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione
SMILESCCn1c(=O)n(C)c(=O)c2cn(CCO)nc21
InChIInChI=1S/C10H14N4O3/c1-3-14-8-7(6-13(11-8)4-5-15)9(16)12(2)10(14)17/h6,15H,3-5H2,1-2H3
InChIKeyWRHZGAHAFLPEHF-UHFFFAOYSA-N
XLogP-1.09
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione?
The IUPAC name of 7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione (CID 70531747) is 7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for 7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione?
The canonical SMILES for 7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione is CCn1c(=O)n(C)c(=O)c2cn(CCO)nc21.
What is the InChIKey of 7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione?
The InChIKey is WRHZGAHAFLPEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-3-14-8-7(6-13(11-8)4-5-15)9(16)12(2)10(14)17/h6,15H,3-5H2,1-2H3.
What are the key properties of 7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione?
7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione has a molecular weight of 238.25 g/mol, XLogP of -1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(2-hydroxyethyl)-5-methylpyrazolo[3,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 70531747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).