methyl (7R)-6-(furan-2-carbonyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate

C15H11N5O5 — CID 137076080

About methyl (7R)-6-(furan-2-carbonyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate

methyl (7R)-6-(furan-2-carbonyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 137076080) has the molecular formula C15H11N5O5 and a molecular weight of 341.28 g/mol. Its IUPAC name is methyl (7R)-6-(furan-2-carbonyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: methyl (7R)-6-(furan-2-carbonyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
• PubChem CID: 137076080
• Molecular Formula: C15H11N5O5
• Molecular Weight: 341.28 g/mol
• Exact Mass: 341.08
• IUPAC Name: methyl (7R)-6-(furan-2-carbonyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
• SMILES: COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2ccco2)n2nnnc2N1
• InChI: InChI=1S/C15H11N5O5/c1-23-14(22)11-10(13(21)9-5-3-7-25-9)12(8-4-2-6-24-8)20-15(16-11)17-18-19-20/h2-7,12H,1H3,(H,16,17,19)/t12-/m0/s1
• InChIKey: USDBHHLIMOTKKA-LBPRGKRZSA-N
• XLogP: 1.18
• TPSA: 125.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.28
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of methyl (7R)-6-(furan-2-carbonyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate (CID 137076080) is methyl (7R)-6-(furan-2-carbonyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate.

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

The canonical SMILES for methyl (7R)-6-(furan-2-carbonyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate is COC(=O)C1=C(C(=O)c2ccco2)[C@H](c2ccco2)n2nnnc2N1.

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

The InChIKey is USDBHHLIMOTKKA-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H11N5O5/c1-23-14(22)11-10(13(21)9-5-3-7-25-9)12(8-4-2-6-24-8)20-15(16-11)17-18-19-20/h2-7,12H,1H3,(H,16,17,19)/t12-/m0/s1.

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

methyl (7R)-6-(furan-2-carbonyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 341.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl (7R)-6-(furan-2-carbonyl)-7-(furan-2-yl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 137076080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).