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

C11H13N5O2 — CID 66044137

IUPAC4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
SMILESCc1cncc(-c2nnnn2CCCC(=O)O)c1
InChIInChI=1S/C11H13N5O2/c1-8-5-9(7-12-6-8)11-13-14-15-16(11)4-2-3-10(17)18/h5-7H,2-4H2,1H3,(H,17,18)
InChIKeySTTCAQLAAHIIDL-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.91
Rot. Bonds5

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

4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid (PubChem CID 66044137) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
PubChem CID66044137
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid
SMILESCc1cncc(-c2nnnn2CCCC(=O)O)c1
InChIInChI=1S/C11H13N5O2/c1-8-5-9(7-12-6-8)11-13-14-15-16(11)4-2-3-10(17)18/h5-7H,2-4H2,1H3,(H,17,18)
InChIKeySTTCAQLAAHIIDL-UHFFFAOYSA-N
XLogP0.91
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid?
The IUPAC name of 4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid (CID 66044137) is 4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid is Cc1cncc(-c2nnnn2CCCC(=O)O)c1.
What is the InChIKey of 4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid?
The InChIKey is STTCAQLAAHIIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c1-8-5-9(7-12-6-8)11-13-14-15-16(11)4-2-3-10(17)18/h5-7H,2-4H2,1H3,(H,17,18).
What are the key properties of 4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid?
4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid has a molecular weight of 247.26 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methyl-3-pyridinyl)tetrazol-1-yl]butanoic acid is sourced from PubChem (CID 66044137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).