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

C10H8N4O2 — CID 707969

IUPAC2-(furan-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccco3)nc2n1
InChIInChI=1S/C10H8N4O2/c1-6-5-8(15)14-10(11-6)12-9(13-14)7-3-2-4-16-7/h2-5H,1H3,(H,11,12,13)
InChIKeyAAWUTDPXANSJFY-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.99
Rot. Bonds1

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

2-(furan-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 707969) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID707969
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name2-(furan-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccco3)nc2n1
InChIInChI=1S/C10H8N4O2/c1-6-5-8(15)14-10(11-6)12-9(13-14)7-3-2-4-16-7/h2-5H,1H3,(H,11,12,13)
InChIKeyAAWUTDPXANSJFY-UHFFFAOYSA-N
XLogP0.99
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.99
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-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(furan-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 707969) is 2-(furan-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(furan-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(furan-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AAWUTDPXANSJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c1-6-5-8(15)14-10(11-6)12-9(13-14)7-3-2-4-16-7/h2-5H,1H3,(H,11,12,13).
What are the key properties of 2-(furan-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(furan-2-yl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 216.20 g/mol, XLogP of 0.99, 1 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-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 707969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).