3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid

C9H10N6O2 — CID 66042235

IUPAC3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid
SMILESCC(CC(=O)O)n1nnnc1-c1cnccn1
InChIInChI=1S/C9H10N6O2/c1-6(4-8(16)17)15-9(12-13-14-15)7-5-10-2-3-11-7/h2-3,5-6H,4H2,1H3,(H,16,17)
InChIKeyOXJSLZHMTRCEEW-UHFFFAOYSA-N
MW234.22 g/mol
LogP0.17
Rot. Bonds4

About 3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid

3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid (PubChem CID 66042235) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid
PubChem CID66042235
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid
SMILESCC(CC(=O)O)n1nnnc1-c1cnccn1
InChIInChI=1S/C9H10N6O2/c1-6(4-8(16)17)15-9(12-13-14-15)7-5-10-2-3-11-7/h2-3,5-6H,4H2,1H3,(H,16,17)
InChIKeyOXJSLZHMTRCEEW-UHFFFAOYSA-N
XLogP0.17
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-Pyrazin-2-yltetrazol-1-yl)methyl 2,2-dimethylpropanoate
CID 482256
2-(3-(pyrazin-2-yl)-1H-1,2,4-triazol-5-yl)acetic acid
CID 39032840
Methyl 2-(5-pyrazin-2-yltetrazol-1-yl)acetate
CID 86163737
Methyl 3-(1-methyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)propanoate
CID 163289760
2-[5-(5-Methylpyrazin-2-yl)tetrazol-1-yl]acetic acid
CID 66008678
2-(5-Pyrazin-2-yltetrazol-1-yl)acetic acid
CID 66008680
3-[5-(5-Methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
CID 66041407
3-(5-Pyrazin-2-yltetrazol-1-yl)propanoic acid
CID 66041607
2-[5-(5-Methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
CID 66041776
2-(5-Pyrazin-2-yltetrazol-1-yl)propanoic acid
CID 66041975
3-[5-(5-Methylpyrazin-2-yl)tetrazol-1-yl]butanoic acid
CID 66042233
2-Methyl-2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]propanoic acid
CID 66043393

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid?
The IUPAC name of 3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid (CID 66042235) is 3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid.
What is the SMILES notation for 3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid?
The canonical SMILES for 3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid is CC(CC(=O)O)n1nnnc1-c1cnccn1.
What is the InChIKey of 3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid?
The InChIKey is OXJSLZHMTRCEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c1-6(4-8(16)17)15-9(12-13-14-15)7-5-10-2-3-11-7/h2-3,5-6H,4H2,1H3,(H,16,17).
What are the key properties of 3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid?
3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid has a molecular weight of 234.22 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyrazin-2-yltetrazol-1-yl)butanoic acid is sourced from PubChem (CID 66042235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).