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

C8H8N6O2 — CID 66041975

IUPAC2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nnnc1-c1cnccn1
InChIInChI=1S/C8H8N6O2/c1-5(8(15)16)14-7(11-12-13-14)6-4-9-2-3-10-6/h2-5H,1H3,(H,15,16)
InChIKeyNRAQIMQGQGEQRH-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.22
Rot. Bonds3

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

2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid (PubChem CID 66041975) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid
PubChem CID66041975
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nnnc1-c1cnccn1
InChIInChI=1S/C8H8N6O2/c1-5(8(15)16)14-7(11-12-13-14)6-4-9-2-3-10-6/h2-5H,1H3,(H,15,16)
InChIKeyNRAQIMQGQGEQRH-UHFFFAOYSA-N
XLogP-0.22
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid?
The IUPAC name of 2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid (CID 66041975) is 2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid.
What is the SMILES notation for 2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid?
The canonical SMILES for 2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid is CC(C(=O)O)n1nnnc1-c1cnccn1.
What is the InChIKey of 2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid?
The InChIKey is NRAQIMQGQGEQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2/c1-5(8(15)16)14-7(11-12-13-14)6-4-9-2-3-10-6/h2-5H,1H3,(H,15,16).
What are the key properties of 2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid?
2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid has a molecular weight of 220.19 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyrazin-2-yltetrazol-1-yl)propanoic acid is sourced from PubChem (CID 66041975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).