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

C15H18N4O3 — CID 2983402

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

ethyl 7-(furan-2-yl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 2983402) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 7-(furan-2-yl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 7-(furan-2-yl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• PubChem CID: 2983402
• Molecular Formula: C15H18N4O3
• Molecular Weight: 302.33 g/mol
• Exact Mass: 302.14
• IUPAC Name: ethyl 7-(furan-2-yl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• SMILES: CCCC1=C(C(=O)OCC)C(c2ccco2)n2ncnc2N1
• InChI: InChI=1S/C15H18N4O3/c1-3-6-10-12(14(20)21-4-2)13(11-7-5-8-22-11)19-15(18-10)16-9-17-19/h5,7-9,13H,3-4,6H2,1-2H3,(H,16,17,18)
• InChIKey: GXGWEZIYALIBDX-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.33
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 7-(furan-2-yl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 2983402) is ethyl 7-(furan-2-yl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

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

The canonical SMILES for ethyl 7-(furan-2-yl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CCCC1=C(C(=O)OCC)C(c2ccco2)n2ncnc2N1.

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

The InChIKey is GXGWEZIYALIBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-6-10-12(14(20)21-4-2)13(11-7-5-8-22-11)19-15(18-10)16-9-17-19/h5,7-9,13H,3-4,6H2,1-2H3,(H,16,17,18).

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

ethyl 7-(furan-2-yl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 302.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 7-(furan-2-yl)-5-propyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 2983402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).