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

C9H10N4O3 — CID 66042566

IUPAC2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid
SMILESCc1cc(-c2nnnn2CC(=O)O)c(C)o1
InChIInChI=1S/C9H10N4O3/c1-5-3-7(6(2)16-5)9-10-11-12-13(9)4-8(14)15/h3H,4H2,1-2H3,(H,14,15)
InChIKeyMTIBILRXCFPIMU-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.63
Rot. Bonds3

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

2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid (PubChem CID 66042566) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid
PubChem CID66042566
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid
SMILESCc1cc(-c2nnnn2CC(=O)O)c(C)o1
InChIInChI=1S/C9H10N4O3/c1-5-3-7(6(2)16-5)9-10-11-12-13(9)4-8(14)15/h3H,4H2,1-2H3,(H,14,15)
InChIKeyMTIBILRXCFPIMU-UHFFFAOYSA-N
XLogP0.63
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid (CID 66042566) is 2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid is Cc1cc(-c2nnnn2CC(=O)O)c(C)o1.
What is the InChIKey of 2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid?
The InChIKey is MTIBILRXCFPIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-5-3-7(6(2)16-5)9-10-11-12-13(9)4-8(14)15/h3H,4H2,1-2H3,(H,14,15).
What are the key properties of 2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid?
2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid has a molecular weight of 222.20 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-dimethylfuran-3-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66042566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).