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

C8H8N6O2 — CID 66041607

IUPAC3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid
SMILESO=C(O)CCn1nnnc1-c1cnccn1
InChIInChI=1S/C8H8N6O2/c15-7(16)1-4-14-8(11-12-13-14)6-5-9-2-3-10-6/h2-3,5H,1,4H2,(H,15,16)
InChIKeyMSNCSMJXLLGGRK-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.40
Rot. Bonds4

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

3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid (PubChem CID 66041607) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid
PubChem CID66041607
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid
SMILESO=C(O)CCn1nnnc1-c1cnccn1
InChIInChI=1S/C8H8N6O2/c15-7(16)1-4-14-8(11-12-13-14)6-5-9-2-3-10-6/h2-3,5H,1,4H2,(H,15,16)
InChIKeyMSNCSMJXLLGGRK-UHFFFAOYSA-N
XLogP-0.40
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid?
The IUPAC name of 3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid (CID 66041607) is 3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid?
The canonical SMILES for 3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid is O=C(O)CCn1nnnc1-c1cnccn1.
What is the InChIKey of 3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid?
The InChIKey is MSNCSMJXLLGGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2/c15-7(16)1-4-14-8(11-12-13-14)6-5-9-2-3-10-6/h2-3,5H,1,4H2,(H,15,16).
What are the key properties of 3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid?
3-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid has a molecular weight of 220.19 g/mol, XLogP of -0.40, 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)propanoic acid is sourced from PubChem (CID 66041607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).