2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid

C7H6N4O3 — CID 3077543

IUPAC2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1ccoc1
InChIInChI=1S/C7H6N4O3/c12-6(13)3-11-7(8-9-10-11)5-1-2-14-4-5/h1-2,4H,3H2,(H,12,13)
InChIKeyMGLIGCVAVAXTJW-UHFFFAOYSA-N
MW194.15 g/mol
LogP0.02
Rot. Bonds3

About 2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid

2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid (PubChem CID 3077543) has the molecular formula C7H6N4O3 and a molecular weight of 194.15 g/mol. Its IUPAC name is 2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid
PubChem CID3077543
Molecular FormulaC7H6N4O3
Molecular Weight194.15 g/mol
Exact Mass194.04
IUPAC Name2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid
SMILESO=C(O)Cn1nnnc1-c1ccoc1
InChIInChI=1S/C7H6N4O3/c12-6(13)3-11-7(8-9-10-11)5-1-2-14-4-5/h1-2,4H,3H2,(H,12,13)
InChIKeyMGLIGCVAVAXTJW-UHFFFAOYSA-N
XLogP0.02
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.15
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid (CID 3077543) is 2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid is O=C(O)Cn1nnnc1-c1ccoc1.
What is the InChIKey of 2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid?
The InChIKey is MGLIGCVAVAXTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O3/c12-6(13)3-11-7(8-9-10-11)5-1-2-14-4-5/h1-2,4H,3H2,(H,12,13).
What are the key properties of 2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid?
2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid has a molecular weight of 194.15 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(furan-3-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 3077543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).