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

C8H8N4O3 — CID 19427340

IUPAC2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid
SMILESCc1ccc(-c2nnnn2CC(=O)O)o1
InChIInChI=1S/C8H8N4O3/c1-5-2-3-6(15-5)8-9-10-11-12(8)4-7(13)14/h2-3H,4H2,1H3,(H,13,14)
InChIKeyRKIAFACSGOQKQP-UHFFFAOYSA-N
MW208.18 g/mol
LogP0.33
Rot. Bonds3

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

2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid (PubChem CID 19427340) has the molecular formula C8H8N4O3 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid
PubChem CID19427340
Molecular FormulaC8H8N4O3
Molecular Weight208.18 g/mol
Exact Mass208.06
IUPAC Name2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid
SMILESCc1ccc(-c2nnnn2CC(=O)O)o1
InChIInChI=1S/C8H8N4O3/c1-5-2-3-6(15-5)8-9-10-11-12(8)4-7(13)14/h2-3H,4H2,1H3,(H,13,14)
InChIKeyRKIAFACSGOQKQP-UHFFFAOYSA-N
XLogP0.33
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid (CID 19427340) is 2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid is Cc1ccc(-c2nnnn2CC(=O)O)o1.
What is the InChIKey of 2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid?
The InChIKey is RKIAFACSGOQKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O3/c1-5-2-3-6(15-5)8-9-10-11-12(8)4-7(13)14/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of 2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid?
2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid has a molecular weight of 208.18 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methylfuran-2-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 19427340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).