5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C9H10N4O2 — CID 130287536

IUPAC5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCOC2)nc2nc[nH]n12
InChIInChI=1S/C9H10N4O2/c14-8-3-7(6-1-2-15-4-6)12-9-10-5-11-13(8)9/h3,5-6H,1-2,4H2,(H,10,11,12)
InChIKeyDJBFYPMXJJAXLO-UHFFFAOYSA-N
MW206.20 g/mol
LogP-0.08
Rot. Bonds1

About 5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 130287536) has the molecular formula C9H10N4O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID130287536
Molecular FormulaC9H10N4O2
Molecular Weight206.20 g/mol
Exact Mass206.08
IUPAC Name5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(C2CCOC2)nc2nc[nH]n12
InChIInChI=1S/C9H10N4O2/c14-8-3-7(6-1-2-15-4-6)12-9-10-5-11-13(8)9/h3,5-6H,1-2,4H2,(H,10,11,12)
InChIKeyDJBFYPMXJJAXLO-UHFFFAOYSA-N
XLogP-0.08
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 130287536) is 5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(C2CCOC2)nc2nc[nH]n12.
What is the InChIKey of 5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DJBFYPMXJJAXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c14-8-3-7(6-1-2-15-4-6)12-9-10-5-11-13(8)9/h3,5-6H,1-2,4H2,(H,10,11,12).
What are the key properties of 5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 206.20 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 130287536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).