2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid

C8H8N6O2 — CID 66008678

IUPAC2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid
SMILESCc1cnc(-c2nnnn2CC(=O)O)cn1
InChIInChI=1S/C8H8N6O2/c1-5-2-10-6(3-9-5)8-11-12-13-14(8)4-7(15)16/h2-3H,4H2,1H3,(H,15,16)
InChIKeyCJZNXXFCTCFOAG-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.48
Rot. Bonds3

About 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid

2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid (PubChem CID 66008678) has the molecular formula C8H8N6O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid
PubChem CID66008678
Molecular FormulaC8H8N6O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid
SMILESCc1cnc(-c2nnnn2CC(=O)O)cn1
InChIInChI=1S/C8H8N6O2/c1-5-2-10-6(3-9-5)8-11-12-13-14(8)4-7(15)16/h2-3H,4H2,1H3,(H,15,16)
InChIKeyCJZNXXFCTCFOAG-UHFFFAOYSA-N
XLogP-0.48
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 ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid (CID 66008678) is 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid is Cc1cnc(-c2nnnn2CC(=O)O)cn1.
What is the InChIKey of 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid?
The InChIKey is CJZNXXFCTCFOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N6O2/c1-5-2-10-6(3-9-5)8-11-12-13-14(8)4-7(15)16/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid?
2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid has a molecular weight of 220.19 g/mol, XLogP of -0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-methylpyrazin-2-yl)tetrazol-1-yl]acetic acid is sourced from PubChem (CID 66008678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).