4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid

C12H15N5O2 — CID 113269967

IUPAC4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1CCc1ccccn1
InChIInChI=1S/C12H15N5O2/c18-12(19)5-3-9-17-11(14-15-16-17)7-6-10-4-1-2-8-13-10/h1-2,4,8H,3,5-7,9H2,(H,18,19)
InChIKeyXRKYLAGARQZKQZ-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.72
Rot. Bonds7

About 4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid

4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid (PubChem CID 113269967) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid
PubChem CID113269967
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC Name4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1nnnc1CCc1ccccn1
InChIInChI=1S/C12H15N5O2/c18-12(19)5-3-9-17-11(14-15-16-17)7-6-10-4-1-2-8-13-10/h1-2,4,8H,3,5-7,9H2,(H,18,19)
InChIKeyXRKYLAGARQZKQZ-UHFFFAOYSA-N
XLogP0.72
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[5-(2-phenoxyethyl)tetrazol-1-yl]pentanoic acid
CID 84759774
4-[5-[(2-fluorophenyl)methyl]tetrazol-1-yl]butanoic acid
CID 66047470
5-[1-(2-pyridin-2-ylethyl)triazol-4-yl]pentanoic acid
CID 104538704
3-[1-[2-oxo-2-(pyridin-2-ylamino)ethyl]tetrazol-5-yl]propanoic acid
CID 84758880
3-(1-octadecyltetrazol-5-yl)propanoic acid
CID 162532467
2-[5-(pyridin-2-ylmethyl)tetrazol-1-yl]ethanamine
CID 61372954
3-[1-(2-hydroxyethyl)tetrazol-5-yl]propanoic acid
CID 84758866
4-[5-[(4-ethoxyphenyl)methyl]tetrazol-1-yl]butanoic acid
CID 82226252
3-[5-(2,2-diphenylethyl)tetrazol-1-yl]propanoic acid
CID 94970264
3-[1-(pyridin-2-ylmethyl)triazol-4-yl]propanoic acid
CID 107460904
3-(2-pyridin-2-ylethylamino)propanoic acid
CID 28830364
3-[5-(3-phenoxypropyl)tetrazol-1-yl]propan-1-ol
CID 84759563

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid (CID 113269967) is 4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid is O=C(O)CCCn1nnnc1CCc1ccccn1.
What is the InChIKey of 4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid?
The InChIKey is XRKYLAGARQZKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-12(19)5-3-9-17-11(14-15-16-17)7-6-10-4-1-2-8-13-10/h1-2,4,8H,3,5-7,9H2,(H,18,19).
What are the key properties of 4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid?
4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid has a molecular weight of 261.28 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-pyridin-2-ylethyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 113269967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).