1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone

C7H6N6O — CID 118233131

IUPAC1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone
SMILESCC(=O)c1cnc(-n2cnnn2)cn1
InChIInChI=1S/C7H6N6O/c1-5(14)6-2-9-7(3-8-6)13-4-10-11-12-13/h2-4H,1H3
InChIKeyGSVJJVUCHJPDCA-UHFFFAOYSA-N
MW190.17 g/mol
LogP-0.35
Rot. Bonds2

About 1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone

1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone (PubChem CID 118233131) has the molecular formula C7H6N6O and a molecular weight of 190.17 g/mol. Its IUPAC name is 1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone
PubChem CID118233131
Molecular FormulaC7H6N6O
Molecular Weight190.17 g/mol
Exact Mass190.06
IUPAC Name1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone
SMILESCC(=O)c1cnc(-n2cnnn2)cn1
InChIInChI=1S/C7H6N6O/c1-5(14)6-2-9-7(3-8-6)13-4-10-11-12-13/h2-4H,1H3
InChIKeyGSVJJVUCHJPDCA-UHFFFAOYSA-N
XLogP-0.35
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone?
The IUPAC name of 1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone (CID 118233131) is 1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone.
What is the SMILES notation for 1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone?
The canonical SMILES for 1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone is CC(=O)c1cnc(-n2cnnn2)cn1.
What is the InChIKey of 1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone?
The InChIKey is GSVJJVUCHJPDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N6O/c1-5(14)6-2-9-7(3-8-6)13-4-10-11-12-13/h2-4H,1H3.
What are the key properties of 1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone?
1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone has a molecular weight of 190.17 g/mol, XLogP of -0.35, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(tetrazol-1-yl)pyrazin-2-yl]ethanone is sourced from PubChem (CID 118233131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).