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

C14H13N5O2 — CID 104573126

IUPAC3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid
SMILESCc1ccc(CC(C(=O)O)c2cncc3nnnn23)cc1
InChIInChI=1S/C14H13N5O2/c1-9-2-4-10(5-3-9)6-11(14(20)21)12-7-15-8-13-16-17-18-19(12)13/h2-5,7-8,11H,6H2,1H3,(H,20,21)
InChIKeyVKGZWSXGZMBPIO-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.24
Rot. Bonds4

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

3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid (PubChem CID 104573126) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid
PubChem CID104573126
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid
SMILESCc1ccc(CC(C(=O)O)c2cncc3nnnn23)cc1
InChIInChI=1S/C14H13N5O2/c1-9-2-4-10(5-3-9)6-11(14(20)21)12-7-15-8-13-16-17-18-19(12)13/h2-5,7-8,11H,6H2,1H3,(H,20,21)
InChIKeyVKGZWSXGZMBPIO-UHFFFAOYSA-N
XLogP1.24
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methylphenyl)-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

Related Compounds

3-(4-fluorophenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104572997
5-(3-chlorobutan-2-yl)tetrazolo[1,5-a]pyrazine
CID 63202766
2-(5-bromopyrimidin-2-yl)-3-(4-methylphenyl)propanoic acid
CID 104573110
2-[4-(tetrazolo[1,5-a]pyrazin-5-ylsulfanyl)phenyl]acetic acid
CID 64927980
2-(4-ethylphenyl)-3-(4-methylphenyl)propanoic acid
CID 82092601
3-[4-(hydroxymethyl)phenyl]-2-(4-methylphenyl)propanoic acid
CID 82160685
2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-3-(4-methylphenyl)propanoic acid
CID 82020875
2-[(tetrazolo[1,5-a]pyrazin-5-ylamino)methyl]butanoic acid
CID 65226474
2-(3-hydroxyphenyl)-3-(4-methylphenyl)propanoic acid
CID 83955052
3-phenyl-2-N-(tetrazolo[1,5-a]pyrazin-5-yl)propane-1,2-diamine
CID 63759971
3-(4-chlorophenyl)-2-(5,6-dimethyl-1,2,4-triazin-3-yl)propanoic acid
CID 114788133
[1-carboxy-2-(4-methylphenyl)ethyl]azanium
CID 59236931

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid?
The IUPAC name of 3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid (CID 104573126) is 3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid?
The canonical SMILES for 3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid is Cc1ccc(CC(C(=O)O)c2cncc3nnnn23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid?
The InChIKey is VKGZWSXGZMBPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-9-2-4-10(5-3-9)6-11(14(20)21)12-7-15-8-13-16-17-18-19(12)13/h2-5,7-8,11H,6H2,1H3,(H,20,21).
What are the key properties of 3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid?
3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid has a molecular weight of 283.29 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-(tetrazolo[1,5-a]pyrazin-5-yl)propanoic acid is sourced from PubChem (CID 104573126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).