3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid

C14H11ClN4O2 — CID 104573389

IUPAC3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1)c1nccn2cnnc12
InChIInChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)7-11(14(20)21)12-13-18-17-8-19(13)6-5-16-12/h1-6,8,11H,7H2,(H,20,21)
InChIKeyWQZVGCZZSTWTRI-UHFFFAOYSA-N
MW302.72 g/mol
LogP2.19
Rot. Bonds4

About 3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid

3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid (PubChem CID 104573389) has the molecular formula C14H11ClN4O2 and a molecular weight of 302.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid
PubChem CID104573389
Molecular FormulaC14H11ClN4O2
Molecular Weight302.72 g/mol
Exact Mass302.06
IUPAC Name3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid
SMILESO=C(O)C(Cc1ccc(Cl)cc1)c1nccn2cnnc12
InChIInChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)7-11(14(20)21)12-13-18-17-8-19(13)6-5-16-12/h1-6,8,11H,7H2,(H,20,21)
InChIKeyWQZVGCZZSTWTRI-UHFFFAOYSA-N
XLogP2.19
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.72
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)butanoic acid
CID 104572053
3-(4-chlorophenyl)-2-pyridin-4-ylpropanoic acid
CID 113428295
3-(4-chlorophenyl)-2-(1,3,4-thiadiazol-2-yl)propanoic acid
CID 104573395
3-(4-chlorophenyl)-2-(5,6-dimethyl-1,2,4-triazin-3-yl)propanoic acid
CID 114788133
3-(4-chlorophenyl)-2-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanoic acid
CID 114450457
3-(4-chlorophenyl)-2-(5-methyl-2-pyridinyl)propanoic acid
CID 104573413
2-methyl-4-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)butanoic acid
CID 80539535
(2S)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822955
(2R)-3-(4-chlorophenyl)-2-(diethylamino)propanoic acid
CID 98822956
2-isoquinolin-1-yl-3-phenylpropanoic acid
CID 104571632
(2R)-3-(4-chlorophenyl)-2-iodopropanamide
CID 138478190
2-(3-bromo-5-chloro-2-pyridinyl)-3-(4-methylphenyl)propanoic acid
CID 114838809

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid?
The IUPAC name of 3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid (CID 104573389) is 3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid.
What is the SMILES notation for 3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid?
The canonical SMILES for 3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid is O=C(O)C(Cc1ccc(Cl)cc1)c1nccn2cnnc12.
What is the InChIKey of 3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid?
The InChIKey is WQZVGCZZSTWTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O2/c15-10-3-1-9(2-4-10)7-11(14(20)21)12-13-18-17-8-19(13)6-5-16-12/h1-6,8,11H,7H2,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid?
3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid has a molecular weight of 302.72 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)propanoic acid is sourced from PubChem (CID 104573389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).