3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one

C11H15N5O3 — CID 104753332

IUPAC3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(CC(O)C3CCOC3)nnc21
InChIInChI=1S/C11H15N5O3/c1-15-10-8(4-12-15)11(18)16(14-13-10)5-9(17)7-2-3-19-6-7/h4,7,9,17H,2-3,5-6H2,1H3
InChIKeyZAACRQKADXIDAL-UHFFFAOYSA-N
MW265.27 g/mol
LogP-1.08
Rot. Bonds3

About 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one

3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one (PubChem CID 104753332) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
PubChem CID104753332
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one
SMILESCn1ncc2c(=O)n(CC(O)C3CCOC3)nnc21
InChIInChI=1S/C11H15N5O3/c1-15-10-8(4-12-15)11(18)16(14-13-10)5-9(17)7-2-3-19-6-7/h4,7,9,17H,2-3,5-6H2,1H3
InChIKeyZAACRQKADXIDAL-UHFFFAOYSA-N
XLogP-1.08
TPSA95.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1,5-Dihydro-1-beta-D-ribofuranosyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135407110
1-beta-d-Ribofuranosylpyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135432358
1-beta-L-ribofuranosylpyrazolo[3,4-d]pyrimidin-4(5H)-one
CID 135804808
1-(3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-6-methyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 135415643
6-Aminoallopurinol riboside
CID 135538689
1-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136054908
6-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135499773
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135976357
1-[(2R,3S,4S,5R)-4-fluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 164614562
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135602150
7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrazolo[5,4-d]triazin-4-one
CID 135422865
2-Pentofuranosyl-2H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135459443

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The IUPAC name of 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one (CID 104753332) is 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one.
What is the SMILES notation for 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The canonical SMILES for 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one is Cn1ncc2c(=O)n(CC(O)C3CCOC3)nnc21.
What is the InChIKey of 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
The InChIKey is ZAACRQKADXIDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-15-10-8(4-12-15)11(18)16(14-13-10)5-9(17)7-2-3-19-6-7/h4,7,9,17H,2-3,5-6H2,1H3.
What are the key properties of 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one?
3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one has a molecular weight of 265.27 g/mol, XLogP of -1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-2-(oxolan-3-yl)ethyl]-7-methylpyrazolo[5,4-d]triazin-4-one is sourced from PubChem (CID 104753332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).