2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide

C9H11N5O3 — CID 7422865

IUPAC2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESNC(=O)Cn1cnc2c(cnn2CCO)c1=O
InChIInChI=1S/C9H11N5O3/c10-7(16)4-13-5-11-8-6(9(13)17)3-12-14(8)1-2-15/h3,5,15H,1-2,4H2,(H2,10,16)
InChIKeyFOWMDEGJWJVQHH-UHFFFAOYSA-N
MW237.22 g/mol
LogP-1.93
Rot. Bonds4

About 2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide

2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide (PubChem CID 7422865) has the molecular formula C9H11N5O3 and a molecular weight of 237.22 g/mol. Its IUPAC name is 2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
PubChem CID7422865
Molecular FormulaC9H11N5O3
Molecular Weight237.22 g/mol
Exact Mass237.09
IUPAC Name2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
SMILESNC(=O)Cn1cnc2c(cnn2CCO)c1=O
InChIInChI=1S/C9H11N5O3/c10-7(16)4-13-5-11-8-6(9(13)17)3-12-14(8)1-2-15/h3,5,15H,1-2,4H2,(H2,10,16)
InChIKeyFOWMDEGJWJVQHH-UHFFFAOYSA-N
XLogP-1.93
TPSA116.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-1.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The IUPAC name of 2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide (CID 7422865) is 2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide is NC(=O)Cn1cnc2c(cnn2CCO)c1=O.
What is the InChIKey of 2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
The InChIKey is FOWMDEGJWJVQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O3/c10-7(16)4-13-5-11-8-6(9(13)17)3-12-14(8)1-2-15/h3,5,15H,1-2,4H2,(H2,10,16).
What are the key properties of 2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide?
2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide has a molecular weight of 237.22 g/mol, XLogP of -1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide is sourced from PubChem (CID 7422865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).