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

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Related Compounds

3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104573126
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
3-(4-fluorophenyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)propanoic acid
CID 82020847
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine
CID 63202766
3-(4-fluorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104572984
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
(2R)-3-(4-fluorophenyl)-2-(2-methoxyphenyl)propanoic acid
CID 42051191
3-(3-fluorophenyl)-2-(1-methyltetrazol-5-yl)propanoic acid
CID 104572725
3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine
CID 63759971
2-(5-bromo-4-methoxypyrimidin-2-yl)-3-(4-fluorophenyl)propanoic acid
CID 107000017

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).