2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H10N4O2 — CID 2038794

IUPAC2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(-c3ccco3)[nH]n2c(=O)c1C
InChIInChI=1S/C11H10N4O2/c1-6-7(2)12-11-13-9(8-4-3-5-17-8)14-15(11)10(6)16/h3-5H,1-2H3,(H,12,13,14)
InChIKeyAFALHFGOBZJSMV-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.29
Rot. Bonds1

About 2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 2038794) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID2038794
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2nc(-c3ccco3)[nH]n2c(=O)c1C
InChIInChI=1S/C11H10N4O2/c1-6-7(2)12-11-13-9(8-4-3-5-17-8)14-15(11)10(6)16/h3-5H,1-2H3,(H,12,13,14)
InChIKeyAFALHFGOBZJSMV-UHFFFAOYSA-N
XLogP1.29
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.29
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)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 2038794) is 2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is Cc1nc2nc(-c3ccco3)[nH]n2c(=O)c1C.
What is the InChIKey of 2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AFALHFGOBZJSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-6-7(2)12-11-13-9(8-4-3-5-17-8)14-15(11)10(6)16/h3-5H,1-2H3,(H,12,13,14).
What are the key properties of 2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
2-(furan-2-yl)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 230.23 g/mol, XLogP of 1.29, 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)-5,6-dimethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 2038794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).