methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C13H14N4O4 — CID 2985448

About methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 2985448) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• PubChem CID: 2985448
• Molecular Formula: C13H14N4O4
• Molecular Weight: 290.28 g/mol
• Exact Mass: 290.10
• IUPAC Name: methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• SMILES: COCC1=C(C(=O)OC)C(c2ccco2)n2ncnc2N1
• InChI: InChI=1S/C13H14N4O4/c1-19-6-8-10(12(18)20-2)11(9-4-3-5-21-9)17-13(16-8)14-7-15-17/h3-5,7,11H,6H2,1-2H3,(H,14,15,16)
• InChIKey: JEYKYUASOQYJSV-UHFFFAOYSA-N
• XLogP: 0.96
• TPSA: 91.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.28
LogP ≤ 5	0.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The IUPAC name of methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 2985448) is methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

What is the SMILES notation for methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The canonical SMILES for methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is COCC1=C(C(=O)OC)C(c2ccco2)n2ncnc2N1.

What is the InChIKey of methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The InChIKey is JEYKYUASOQYJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-19-6-8-10(12(18)20-2)11(9-4-3-5-21-9)17-13(16-8)14-7-15-17/h3-5,7,11H,6H2,1-2H3,(H,14,15,16).

What are the key properties of methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 290.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 7-(furan-2-yl)-5-(methoxymethyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2985448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).