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

C9H6N4O2 — CID 17355042

IUPAC5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccco2)nc2nc[nH]n12
InChIInChI=1S/C9H6N4O2/c14-8-4-6(7-2-1-3-15-7)12-9-10-5-11-13(8)9/h1-5H,(H,10,11,12)
InChIKeyYDCYVPQSYLEIAM-UHFFFAOYSA-N
MW202.17 g/mol
LogP0.68
Rot. Bonds1

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

5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 17355042) has the molecular formula C9H6N4O2 and a molecular weight of 202.17 g/mol. Its IUPAC name is 5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID17355042
Molecular FormulaC9H6N4O2
Molecular Weight202.17 g/mol
Exact Mass202.05
IUPAC Name5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESO=c1cc(-c2ccco2)nc2nc[nH]n12
InChIInChI=1S/C9H6N4O2/c14-8-4-6(7-2-1-3-15-7)12-9-10-5-11-13(8)9/h1-5H,(H,10,11,12)
InChIKeyYDCYVPQSYLEIAM-UHFFFAOYSA-N
XLogP0.68
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 17355042) is 5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is O=c1cc(-c2ccco2)nc2nc[nH]n12.
What is the InChIKey of 5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YDCYVPQSYLEIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N4O2/c14-8-4-6(7-2-1-3-15-7)12-9-10-5-11-13(8)9/h1-5H,(H,10,11,12).
What are the key properties of 5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 202.17 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 17355042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).