2-[4-(tetrazol-1-yl)phenyl]acetic acid

C9H8N4O2 — CID 841658

IUPAC2-[4-(tetrazol-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H8N4O2/c14-9(15)5-7-1-3-8(4-2-7)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15)
InChIKeyOGYBWZMCGUWWHS-UHFFFAOYSA-N
MW204.19 g/mol
LogP0.29
Rot. Bonds3

About 2-[4-(tetrazol-1-yl)phenyl]acetic acid

2-[4-(tetrazol-1-yl)phenyl]acetic acid (PubChem CID 841658) has the molecular formula C9H8N4O2 and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-[4-(tetrazol-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(tetrazol-1-yl)phenyl]acetic acid
PubChem CID841658
Molecular FormulaC9H8N4O2
Molecular Weight204.19 g/mol
Exact Mass204.06
IUPAC Name2-[4-(tetrazol-1-yl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C9H8N4O2/c14-9(15)5-7-1-3-8(4-2-7)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15)
InChIKeyOGYBWZMCGUWWHS-UHFFFAOYSA-N
XLogP0.29
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(tetrazol-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(tetrazol-1-yl)phenyl]acetic acid (CID 841658) is 2-[4-(tetrazol-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(tetrazol-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(tetrazol-1-yl)phenyl]acetic acid is O=C(O)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of 2-[4-(tetrazol-1-yl)phenyl]acetic acid?
The InChIKey is OGYBWZMCGUWWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O2/c14-9(15)5-7-1-3-8(4-2-7)13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15).
What are the key properties of 2-[4-(tetrazol-1-yl)phenyl]acetic acid?
2-[4-(tetrazol-1-yl)phenyl]acetic acid has a molecular weight of 204.19 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(tetrazol-1-yl)phenyl]acetic acid is sourced from PubChem (CID 841658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).