2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid

C11H8N4O4 — CID 61057191

IUPAC2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C11H8N4O4/c16-11(17)7-3-5-19-9(7)6-15-13-10(12-14-15)8-2-1-4-18-8/h1-5H,6H2,(H,16,17)
InChIKeyOMIAMROTXLZWTR-UHFFFAOYSA-N
MW260.21 g/mol
LogP1.27
Rot. Bonds4

About 2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid

2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid (PubChem CID 61057191) has the molecular formula C11H8N4O4 and a molecular weight of 260.21 g/mol. Its IUPAC name is 2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid
PubChem CID61057191
Molecular FormulaC11H8N4O4
Molecular Weight260.21 g/mol
Exact Mass260.05
IUPAC Name2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1Cn1nnc(-c2ccco2)n1
InChIInChI=1S/C11H8N4O4/c16-11(17)7-3-5-19-9(7)6-15-13-10(12-14-15)8-2-1-4-18-8/h1-5H,6H2,(H,16,17)
InChIKeyOMIAMROTXLZWTR-UHFFFAOYSA-N
XLogP1.27
TPSA107.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid?
The IUPAC name of 2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid (CID 61057191) is 2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid.
What is the SMILES notation for 2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid?
The canonical SMILES for 2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid is O=C(O)c1ccoc1Cn1nnc(-c2ccco2)n1.
What is the InChIKey of 2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid?
The InChIKey is OMIAMROTXLZWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O4/c16-11(17)7-3-5-19-9(7)6-15-13-10(12-14-15)8-2-1-4-18-8/h1-5H,6H2,(H,16,17).
What are the key properties of 2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid?
2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid has a molecular weight of 260.21 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(furan-2-yl)tetrazol-2-yl]methyl]furan-3-carboxylic acid is sourced from PubChem (CID 61057191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).