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

C7H6N6O2 — CID 66008680

IUPAC2-(5-pyrazin-2-yltetrazol-1-yl)acetic acid
SMILESO=C(O)Cn1nnnc1-c1cnccn1
InChIInChI=1S/C7H6N6O2/c14-6(15)4-13-7(10-11-12-13)5-3-8-1-2-9-5/h1-3H,4H2,(H,14,15)
InChIKeyJOWFJXVRDCPZSH-UHFFFAOYSA-N
MW206.17 g/mol
LogP-0.79
Rot. Bonds3

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

2-(5-pyrazin-2-yltetrazol-1-yl)acetic acid (PubChem CID 66008680) has the molecular formula C7H6N6O2 and a molecular weight of 206.17 g/mol. Its IUPAC name is 2-(5-pyrazin-2-yltetrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-pyrazin-2-yltetrazol-1-yl)acetic acid
PubChem CID66008680
Molecular FormulaC7H6N6O2
Molecular Weight206.17 g/mol
Exact Mass206.06
IUPAC Name2-(5-pyrazin-2-yltetrazol-1-yl)acetic acid
SMILESO=C(O)Cn1nnnc1-c1cnccn1
InChIInChI=1S/C7H6N6O2/c14-6(15)4-13-7(10-11-12-13)5-3-8-1-2-9-5/h1-3H,4H2,(H,14,15)
InChIKeyJOWFJXVRDCPZSH-UHFFFAOYSA-N
XLogP-0.79
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 5-0.79
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)acetic acid?
The IUPAC name of 2-(5-pyrazin-2-yltetrazol-1-yl)acetic acid (CID 66008680) is 2-(5-pyrazin-2-yltetrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-pyrazin-2-yltetrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-pyrazin-2-yltetrazol-1-yl)acetic acid is O=C(O)Cn1nnnc1-c1cnccn1.
What is the InChIKey of 2-(5-pyrazin-2-yltetrazol-1-yl)acetic acid?
The InChIKey is JOWFJXVRDCPZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O2/c14-6(15)4-13-7(10-11-12-13)5-3-8-1-2-9-5/h1-3H,4H2,(H,14,15).
What are the key properties of 2-(5-pyrazin-2-yltetrazol-1-yl)acetic acid?
2-(5-pyrazin-2-yltetrazol-1-yl)acetic acid has a molecular weight of 206.17 g/mol, XLogP of -0.79, 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)acetic acid is sourced from PubChem (CID 66008680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).