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

C12H12N4O2 — CID 1265958

IUPAC2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3ccco3)nc2n1
InChIInChI=1S/C12H12N4O2/c1-2-4-8-7-10(17)16-12(13-8)14-11(15-16)9-5-3-6-18-9/h3,5-7H,2,4H2,1H3,(H,13,14,15)
InChIKeyZXSJKOBWSDYVGX-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.63
Rot. Bonds3

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

2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 1265958) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID1265958
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCCc1cc(=O)n2[nH]c(-c3ccco3)nc2n1
InChIInChI=1S/C12H12N4O2/c1-2-4-8-7-10(17)16-12(13-8)14-11(15-16)9-5-3-6-18-9/h3,5-7H,2,4H2,1H3,(H,13,14,15)
InChIKeyZXSJKOBWSDYVGX-UHFFFAOYSA-N
XLogP1.63
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 1265958) is 2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCCc1cc(=O)n2[nH]c(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is ZXSJKOBWSDYVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-2-4-8-7-10(17)16-12(13-8)14-11(15-16)9-5-3-6-18-9/h3,5-7H,2,4H2,1H3,(H,13,14,15).
What are the key properties of 2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 244.25 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1265958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).