2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

C11H10N4O — CID 753361

IUPAC2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C11H10N4O/c1-7-6-8(2)15-11(12-7)13-10(14-15)9-4-3-5-16-9/h3-6H,1-2H3
InChIKeyWVWLLCHVODUKGH-UHFFFAOYSA-N
MW214.23 g/mol
LogP2.00
Rot. Bonds1

About 2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine

2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 753361) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID753361
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2nc(-c3ccco3)nc2n1
InChIInChI=1S/C11H10N4O/c1-7-6-8(2)15-11(12-7)13-10(14-15)9-4-3-5-16-9/h3-6H,1-2H3
InChIKeyWVWLLCHVODUKGH-UHFFFAOYSA-N
XLogP2.00
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine (CID 753361) is 2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(C)n2nc(-c3ccco3)nc2n1.
What is the InChIKey of 2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is WVWLLCHVODUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-7-6-8(2)15-11(12-7)13-10(14-15)9-4-3-5-16-9/h3-6H,1-2H3.
What are the key properties of 2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine?
2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 214.23 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 753361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).