5-pyrazin-2-yltetrazine

C6H4N6 — CID 66671872

IUPAC5-pyrazin-2-yltetrazine
SMILESc1cnc(-c2cnnnn2)cn1
InChIInChI=1S/C6H4N6/c1-2-8-5(3-7-1)6-4-9-11-12-10-6/h1-4H
InChIKeyXIOKPKHXAMWTPY-UHFFFAOYSA-N
MW160.14 g/mol
LogP-0.28
Rot. Bonds1

About 5-pyrazin-2-yltetrazine

5-pyrazin-2-yltetrazine (PubChem CID 66671872) has the molecular formula C6H4N6 and a molecular weight of 160.14 g/mol. Its IUPAC name is 5-pyrazin-2-yltetrazine.

Molecular Properties

Compound Name5-pyrazin-2-yltetrazine
PubChem CID66671872
Molecular FormulaC6H4N6
Molecular Weight160.14 g/mol
Exact Mass160.05
IUPAC Name5-pyrazin-2-yltetrazine
SMILESc1cnc(-c2cnnnn2)cn1
InChIInChI=1S/C6H4N6/c1-2-8-5(3-7-1)6-4-9-11-12-10-6/h1-4H
InChIKeyXIOKPKHXAMWTPY-UHFFFAOYSA-N
XLogP-0.28
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-pyrazin-2-yltetrazine?
The IUPAC name of 5-pyrazin-2-yltetrazine (CID 66671872) is 5-pyrazin-2-yltetrazine.
What is the SMILES notation for 5-pyrazin-2-yltetrazine?
The canonical SMILES for 5-pyrazin-2-yltetrazine is c1cnc(-c2cnnnn2)cn1.
What is the InChIKey of 5-pyrazin-2-yltetrazine?
The InChIKey is XIOKPKHXAMWTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N6/c1-2-8-5(3-7-1)6-4-9-11-12-10-6/h1-4H.
What are the key properties of 5-pyrazin-2-yltetrazine?
5-pyrazin-2-yltetrazine has a molecular weight of 160.14 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrazin-2-yltetrazine is sourced from PubChem (CID 66671872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).