5-(tetrazol-1-yl)pentanoic acid

C6H10N4O2 — CID 21280290

IUPAC5-(tetrazol-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1cnnn1
InChIInChI=1S/C6H10N4O2/c11-6(12)3-1-2-4-10-5-7-8-9-10/h5H,1-4H2,(H,11,12)
InChIKeyUWAXMGIFAWPUII-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.07
Rot. Bonds5

About 5-(tetrazol-1-yl)pentanoic acid

5-(tetrazol-1-yl)pentanoic acid (PubChem CID 21280290) has the molecular formula C6H10N4O2 and a molecular weight of 170.17 g/mol. Its IUPAC name is 5-(tetrazol-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(tetrazol-1-yl)pentanoic acid
PubChem CID21280290
Molecular FormulaC6H10N4O2
Molecular Weight170.17 g/mol
Exact Mass170.08
IUPAC Name5-(tetrazol-1-yl)pentanoic acid
SMILESO=C(O)CCCCn1cnnn1
InChIInChI=1S/C6H10N4O2/c11-6(12)3-1-2-4-10-5-7-8-9-10/h5H,1-4H2,(H,11,12)
InChIKeyUWAXMGIFAWPUII-UHFFFAOYSA-N
XLogP-0.07
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(tetrazol-1-yl)pentanoic acid?
The IUPAC name of 5-(tetrazol-1-yl)pentanoic acid (CID 21280290) is 5-(tetrazol-1-yl)pentanoic acid.
What is the SMILES notation for 5-(tetrazol-1-yl)pentanoic acid?
The canonical SMILES for 5-(tetrazol-1-yl)pentanoic acid is O=C(O)CCCCn1cnnn1.
What is the InChIKey of 5-(tetrazol-1-yl)pentanoic acid?
The InChIKey is UWAXMGIFAWPUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2/c11-6(12)3-1-2-4-10-5-7-8-9-10/h5H,1-4H2,(H,11,12).
What are the key properties of 5-(tetrazol-1-yl)pentanoic acid?
5-(tetrazol-1-yl)pentanoic acid has a molecular weight of 170.17 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tetrazol-1-yl)pentanoic acid is sourced from PubChem (CID 21280290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).