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

C17H12FN5O4 — CID 135629129

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

methyl 7-(2-fluorophenyl)-6-(furan-2-carbonyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 135629129) has the molecular formula C17H12FN5O4 and a molecular weight of 369.31 g/mol. Its IUPAC name is methyl 7-(2-fluorophenyl)-6-(furan-2-carbonyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: methyl 7-(2-fluorophenyl)-6-(furan-2-carbonyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
• PubChem CID: 135629129
• Molecular Formula: C17H12FN5O4
• Molecular Weight: 369.31 g/mol
• Exact Mass: 369.09
• IUPAC Name: methyl 7-(2-fluorophenyl)-6-(furan-2-carbonyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate
• SMILES: COC(=O)C1=C(C(=O)c2ccco2)C(c2ccccc2F)n2nnnc2N1
• InChI: InChI=1S/C17H12FN5O4/c1-26-16(25)13-12(15(24)11-7-4-8-27-11)14(9-5-2-3-6-10(9)18)23-17(19-13)20-21-22-23/h2-8,14H,1H3,(H,19,20,22)
• InChIKey: GLWGQFHZYQFBSM-UHFFFAOYSA-N
• XLogP: 1.73
• TPSA: 112.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.31
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of methyl 7-(2-fluorophenyl)-6-(furan-2-carbonyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate (CID 135629129) is methyl 7-(2-fluorophenyl)-6-(furan-2-carbonyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate.

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

The canonical SMILES for methyl 7-(2-fluorophenyl)-6-(furan-2-carbonyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate is COC(=O)C1=C(C(=O)c2ccco2)C(c2ccccc2F)n2nnnc2N1.

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

The InChIKey is GLWGQFHZYQFBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O4/c1-26-16(25)13-12(15(24)11-7-4-8-27-11)14(9-5-2-3-6-10(9)18)23-17(19-13)20-21-22-23/h2-8,14H,1H3,(H,19,20,22).

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

methyl 7-(2-fluorophenyl)-6-(furan-2-carbonyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 369.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 7-(2-fluorophenyl)-6-(furan-2-carbonyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 135629129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).