3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid

C13H10FN5O2 — CID 104572997

IUPAC3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)c1cncc2nnnn12
InChIInChI=1S/C13H10FN5O2/c14-9-3-1-8(2-4-9)5-10(13(20)21)11-6-15-7-12-16-17-18-19(11)12/h1-4,6-7,10H,5H2,(H,20,21)
InChIKeyMKSXGJRIJVQJNO-UHFFFAOYSA-N
MW287.25 g/mol
LogP1.07
Rot. Bonds4

About 3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid

3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid (PubChem CID 104572997) has the molecular formula C13H10FN5O2 and a molecular weight of 287.25 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid
PubChem CID104572997
Molecular FormulaC13H10FN5O2
Molecular Weight287.25 g/mol
Exact Mass287.08
IUPAC Name3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid
SMILESO=C(O)C(Cc1ccc(F)cc1)c1cncc2nnnn12
InChIInChI=1S/C13H10FN5O2/c14-9-3-1-8(2-4-9)5-10(13(20)21)11-6-15-7-12-16-17-18-19(11)12/h1-4,6-7,10H,5H2,(H,20,21)
InChIKeyMKSXGJRIJVQJNO-UHFFFAOYSA-N
XLogP1.07
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic 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 3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid?
The IUPAC name of 3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid (CID 104572997) is 3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid?
The canonical SMILES for 3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid is O=C(O)C(Cc1ccc(F)cc1)c1cncc2nnnn12.
What is the InChIKey of 3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid?
The InChIKey is MKSXGJRIJVQJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2/c14-9-3-1-8(2-4-9)5-10(13(20)21)11-6-15-7-12-16-17-18-19(11)12/h1-4,6-7,10H,5H2,(H,20,21).
What are the key properties of 3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid?
3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid has a molecular weight of 287.25 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid is sourced from PubChem (CID 104572997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).