3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid

C13H17N5O2 — CID 106754449

IUPAC3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1nnnc1-c1ccnc(C)c1
InChIInChI=1S/C13H17N5O2/c1-3-4-11(8-12(19)20)18-13(15-16-17-18)10-5-6-14-9(2)7-10/h5-7,11H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyVAOZVWCZZVEJAS-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.86
Rot. Bonds6

About 3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid

3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid (PubChem CID 106754449) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid.

Molecular Properties

Compound Name3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid
PubChem CID106754449
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid
SMILESCCCC(CC(=O)O)n1nnnc1-c1ccnc(C)c1
InChIInChI=1S/C13H17N5O2/c1-3-4-11(8-12(19)20)18-13(15-16-17-18)10-5-6-14-9(2)7-10/h5-7,11H,3-4,8H2,1-2H3,(H,19,20)
InChIKeyVAOZVWCZZVEJAS-UHFFFAOYSA-N
XLogP1.86
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-(3-bromo-2-pyridinyl)tetrazol-1-yl]hexanoic acid
CID 107526441
2-methyl-2-[[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]methyl]butanoic acid
CID 106754447
3-[5-(3-ethyl-1-methylpyrazol-4-yl)tetrazol-1-yl]hexanoic acid
CID 102811524
3-(5-phenyltetrazol-1-yl)hexanal
CID 134999980
3-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62119163
2-[5-(4-bromophenyl)tetrazol-1-yl]pentanoic acid
CID 82226038
3-[5-(2-chloro-4-methylphenyl)tetrazol-1-yl]pentanoic acid
CID 106864525
3-[5-(2,5-dichlorothiophen-3-yl)tetrazol-1-yl]pentanoic acid
CID 107967102
3-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butanoic acid
CID 66042629
3-[5-(3,5-dimethylphenyl)tetrazol-1-yl]butanoic acid
CID 66041030
2-bromo-5-(1-hexan-3-yltetrazol-5-yl)aniline
CID 62117490
4,4-dimethyl-3-(5-pyridazin-4-yltetrazol-1-yl)pentanoic acid
CID 104673113

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid?
The IUPAC name of 3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid (CID 106754449) is 3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid.
What is the SMILES notation for 3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid?
The canonical SMILES for 3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid is CCCC(CC(=O)O)n1nnnc1-c1ccnc(C)c1.
What is the InChIKey of 3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid?
The InChIKey is VAOZVWCZZVEJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-3-4-11(8-12(19)20)18-13(15-16-17-18)10-5-6-14-9(2)7-10/h5-7,11H,3-4,8H2,1-2H3,(H,19,20).
What are the key properties of 3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid?
3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methyl-4-pyridinyl)tetrazol-1-yl]hexanoic acid is sourced from PubChem (CID 106754449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).