2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid

C13H17N5O2 — CID 82226192

IUPAC2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid
SMILESCCCCC(C(=O)O)n1nnnc1-c1ccc(N)cc1
InChIInChI=1S/C13H17N5O2/c1-2-3-4-11(13(19)20)18-12(15-16-17-18)9-5-7-10(14)8-6-9/h5-8,11H,2-4,14H2,1H3,(H,19,20)
InChIKeyAWARRBDQOHJQBJ-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.74
Rot. Bonds6

About 2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid

2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid (PubChem CID 82226192) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid.

Molecular Properties

Compound Name2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid
PubChem CID82226192
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid
SMILESCCCCC(C(=O)O)n1nnnc1-c1ccc(N)cc1
InChIInChI=1S/C13H17N5O2/c1-2-3-4-11(13(19)20)18-12(15-16-17-18)9-5-7-10(14)8-6-9/h5-8,11H,2-4,14H2,1H3,(H,19,20)
InChIKeyAWARRBDQOHJQBJ-UHFFFAOYSA-N
XLogP1.74
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[5-(4-bromophenyl)tetrazol-1-yl]pentanoic acid
CID 82226038
2-(5-propan-2-yltetrazol-1-yl)hexanoic acid
CID 82226143
4-[1-(2-methylpentan-3-yl)tetrazol-5-yl]aniline
CID 54954480
2-[5-[(4-fluorophenyl)methyl]tetrazol-1-yl]hexanoic acid
CID 82226164
2-[2-(4-aminophenyl)imidazol-1-yl]pentanoic acid
CID 83041133
2-fluoro-5-(1-hexan-2-yltetrazol-5-yl)aniline
CID 62198986
2-[5-[(4-methylphenoxy)methyl]tetrazol-1-yl]pentanoic acid
CID 82226060
2-[5-[(2-chlorophenoxy)methyl]tetrazol-1-yl]hexanoic acid
CID 82226178
4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine
CID 12919379
4-methyl-3-(1-octan-2-yltetrazol-5-yl)aniline
CID 61477974
2-[5-[(E)-2-phenylethenyl]tetrazol-1-yl]pentanoic acid
CID 82226071
3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119163

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid?
The IUPAC name of 2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid (CID 82226192) is 2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid.
What is the SMILES notation for 2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid?
The canonical SMILES for 2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid is CCCCC(C(=O)O)n1nnnc1-c1ccc(N)cc1.
What is the InChIKey of 2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid?
The InChIKey is AWARRBDQOHJQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-3-4-11(13(19)20)18-12(15-16-17-18)9-5-7-10(14)8-6-9/h5-8,11H,2-4,14H2,1H3,(H,19,20).
What are the key properties of 2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid?
2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-aminophenyl)tetrazol-1-yl]hexanoic acid is sourced from PubChem (CID 82226192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).