2-(tetrazol-1-yl)acetic acid

C3H4N4O2 — CID 543207

IUPAC2-(tetrazol-1-yl)acetic acid
SMILESO=C(O)Cn1cnnn1
InChIInChI=1S/C3H4N4O2/c8-3(9)1-7-2-4-5-6-7/h2H,1H2,(H,8,9)
InChIKeyGRWAIJBHBCCLGS-UHFFFAOYSA-N
MW128.09 g/mol
LogP-1.24
Rot. Bonds2

About 2-(tetrazol-1-yl)acetic acid

2-(tetrazol-1-yl)acetic acid (PubChem CID 543207) has the molecular formula C3H4N4O2 and a molecular weight of 128.09 g/mol. Its IUPAC name is 2-(tetrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(tetrazol-1-yl)acetic acid
PubChem CID543207
Molecular FormulaC3H4N4O2
Molecular Weight128.09 g/mol
Exact Mass128.03
IUPAC Name2-(tetrazol-1-yl)acetic acid
SMILESO=C(O)Cn1cnnn1
InChIInChI=1S/C3H4N4O2/c8-3(9)1-7-2-4-5-6-7/h2H,1H2,(H,8,9)
InChIKeyGRWAIJBHBCCLGS-UHFFFAOYSA-N
XLogP-1.24
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(tetrazol-1-yl)acetic acid?
The IUPAC name of 2-(tetrazol-1-yl)acetic acid (CID 543207) is 2-(tetrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(tetrazol-1-yl)acetic acid?
The canonical SMILES for 2-(tetrazol-1-yl)acetic acid is O=C(O)Cn1cnnn1.
What is the InChIKey of 2-(tetrazol-1-yl)acetic acid?
The InChIKey is GRWAIJBHBCCLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N4O2/c8-3(9)1-7-2-4-5-6-7/h2H,1H2,(H,8,9).
What are the key properties of 2-(tetrazol-1-yl)acetic acid?
2-(tetrazol-1-yl)acetic acid has a molecular weight of 128.09 g/mol, XLogP of -1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetrazol-1-yl)acetic acid is sourced from PubChem (CID 543207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).