5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid

C13H16N4O2 — CID 21295525

IUPAC5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid
SMILESCc1ccc(-n2nnnc2CCCCC(=O)O)cc1
InChIInChI=1S/C13H16N4O2/c1-10-6-8-11(9-7-10)17-12(14-15-16-17)4-2-3-5-13(18)19/h6-9H,2-5H2,1H3,(H,18,19)
InChIKeyOTIWRPSKAPTMOG-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.77
Rot. Bonds6

About 5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid

5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid (PubChem CID 21295525) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid.

Molecular Properties

Compound Name5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid
PubChem CID21295525
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid
SMILESCc1ccc(-n2nnnc2CCCCC(=O)O)cc1
InChIInChI=1S/C13H16N4O2/c1-10-6-8-11(9-7-10)17-12(14-15-16-17)4-2-3-5-13(18)19/h6-9H,2-5H2,1H3,(H,18,19)
InChIKeyOTIWRPSKAPTMOG-UHFFFAOYSA-N
XLogP1.77
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.77
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-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid?
The IUPAC name of 5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid (CID 21295525) is 5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid.
What is the SMILES notation for 5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid?
The canonical SMILES for 5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid is Cc1ccc(-n2nnnc2CCCCC(=O)O)cc1.
What is the InChIKey of 5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid?
The InChIKey is OTIWRPSKAPTMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-10-6-8-11(9-7-10)17-12(14-15-16-17)4-2-3-5-13(18)19/h6-9H,2-5H2,1H3,(H,18,19).
What are the key properties of 5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid?
5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid has a molecular weight of 260.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-methylphenyl)tetrazol-5-yl]pentanoic acid is sourced from PubChem (CID 21295525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).