pyrazin-2-ylmethylazanium

C5H8N3+ — CID 6994208

IUPACpyrazin-2-ylmethylazanium
SMILES[NH3+]Cc1cnccn1
InChIInChI=1S/C5H7N3/c6-3-5-4-7-1-2-8-5/h1-2,4H,3,6H2/p+1
InChIKeyHQIBSDCOMQYSPF-UHFFFAOYSA-O
MW110.14 g/mol
LogP-0.78
Rot. Bonds1

About pyrazin-2-ylmethylazanium

pyrazin-2-ylmethylazanium (PubChem CID 6994208) has the molecular formula C5H8N3+ and a molecular weight of 110.14 g/mol. Its IUPAC name is pyrazin-2-ylmethylazanium.

Molecular Properties

Compound Namepyrazin-2-ylmethylazanium
PubChem CID6994208
Molecular FormulaC5H8N3+
Molecular Weight110.14 g/mol
Exact Mass110.07
IUPAC Namepyrazin-2-ylmethylazanium
SMILES[NH3+]Cc1cnccn1
InChIInChI=1S/C5H7N3/c6-3-5-4-7-1-2-8-5/h1-2,4H,3,6H2/p+1
InChIKeyHQIBSDCOMQYSPF-UHFFFAOYSA-O
XLogP-0.78
TPSA53.42 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-ylmethylazanium?
The IUPAC name of pyrazin-2-ylmethylazanium (CID 6994208) is pyrazin-2-ylmethylazanium.
What is the SMILES notation for pyrazin-2-ylmethylazanium?
The canonical SMILES for pyrazin-2-ylmethylazanium is [NH3+]Cc1cnccn1.
What is the InChIKey of pyrazin-2-ylmethylazanium?
The InChIKey is HQIBSDCOMQYSPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H7N3/c6-3-5-4-7-1-2-8-5/h1-2,4H,3,6H2/p+1.
What are the key properties of pyrazin-2-ylmethylazanium?
pyrazin-2-ylmethylazanium has a molecular weight of 110.14 g/mol, XLogP of -0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-ylmethylazanium is sourced from PubChem (CID 6994208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).