6-(tetrazol-1-yl)hexanoic acid

C7H12N4O2 — CID 21280275

IUPAC6-(tetrazol-1-yl)hexanoic acid
SMILESO=C(O)CCCCCn1cnnn1
InChIInChI=1S/C7H12N4O2/c12-7(13)4-2-1-3-5-11-6-8-9-10-11/h6H,1-5H2,(H,12,13)
InChIKeyVOTHMCFDFNGEQF-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.32
Rot. Bonds6

About 6-(tetrazol-1-yl)hexanoic acid

6-(tetrazol-1-yl)hexanoic acid (PubChem CID 21280275) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 6-(tetrazol-1-yl)hexanoic acid.

Molecular Properties

Compound Name6-(tetrazol-1-yl)hexanoic acid
PubChem CID21280275
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name6-(tetrazol-1-yl)hexanoic acid
SMILESO=C(O)CCCCCn1cnnn1
InChIInChI=1S/C7H12N4O2/c12-7(13)4-2-1-3-5-11-6-8-9-10-11/h6H,1-5H2,(H,12,13)
InChIKeyVOTHMCFDFNGEQF-UHFFFAOYSA-N
XLogP0.32
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.32
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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Related Compounds

1H-Tetrazole-1-dodecanoic acid
CID 454101
2-Tetrazol-1-yl-pentanoic acid
CID 6484159
4-(1H-Tetrazol-1-yl)butanoic acid
CID 22996543
8-(Tetrazol-1-yl)octanoic acid
CID 21280277
5-(1H-Tetrazol-1-yl)pentanoic acid
CID 21280290
11-(Tetrazol-1-yl)undecanoic acid
CID 21280312
1-(Tetrazol-1-ylmethyl)cyclopentane-1-carboxylic acid
CID 22660135
Ethyl 6-(tetrazol-1-yl)hexanoate
CID 53953721
4-(Tetrazol-1-yl)butanoic acid;hydrochloride
CID 70410058
5-(Tetrazol-1-yl)pentanoic acid;hydrochloride
CID 70410135
15-(Tetrazol-1-yl)pentadecanoic acid
CID 163406076
3-(Tetrazol-1-yl)nonanedioic acid
CID 175901686

Frequently Asked Questions

What is the IUPAC name of 6-(tetrazol-1-yl)hexanoic acid?
The IUPAC name of 6-(tetrazol-1-yl)hexanoic acid (CID 21280275) is 6-(tetrazol-1-yl)hexanoic acid.
What is the SMILES notation for 6-(tetrazol-1-yl)hexanoic acid?
The canonical SMILES for 6-(tetrazol-1-yl)hexanoic acid is O=C(O)CCCCCn1cnnn1.
What is the InChIKey of 6-(tetrazol-1-yl)hexanoic acid?
The InChIKey is VOTHMCFDFNGEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c12-7(13)4-2-1-3-5-11-6-8-9-10-11/h6H,1-5H2,(H,12,13).
What are the key properties of 6-(tetrazol-1-yl)hexanoic acid?
6-(tetrazol-1-yl)hexanoic acid has a molecular weight of 184.20 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tetrazol-1-yl)hexanoic acid is sourced from PubChem (CID 21280275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).