1,2,3,6-tetrahydropyrazin-4-ium

C4H9N2+ — CID 21099903

IUPAC1,2,3,6-tetrahydropyrazin-4-ium
SMILESC1=[NH+]CCNC1
InChIInChI=1S/C4H8N2/c1-2-6-4-3-5-1/h1,6H,2-4H2/p+1
InChIKeyIOLQWFQLCNMKAZ-UHFFFAOYSA-O
MW85.13 g/mol
LogP-2.26
Rot. Bonds

About 1,2,3,6-tetrahydropyrazin-4-ium

1,2,3,6-tetrahydropyrazin-4-ium (PubChem CID 21099903) has the molecular formula C4H9N2+ and a molecular weight of 85.13 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyrazin-4-ium.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyrazin-4-ium
PubChem CID21099903
Molecular FormulaC4H9N2+
Molecular Weight85.13 g/mol
Exact Mass85.08
IUPAC Name1,2,3,6-tetrahydropyrazin-4-ium
SMILESC1=[NH+]CCNC1
InChIInChI=1S/C4H8N2/c1-2-6-4-3-5-1/h1,6H,2-4H2/p+1
InChIKeyIOLQWFQLCNMKAZ-UHFFFAOYSA-O
XLogP-2.26
TPSA26.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.13
LogP ≤ 5-2.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyrazin-4-ium?
The IUPAC name of 1,2,3,6-tetrahydropyrazin-4-ium (CID 21099903) is 1,2,3,6-tetrahydropyrazin-4-ium.
What is the SMILES notation for 1,2,3,6-tetrahydropyrazin-4-ium?
The canonical SMILES for 1,2,3,6-tetrahydropyrazin-4-ium is C1=[NH+]CCNC1.
What is the InChIKey of 1,2,3,6-tetrahydropyrazin-4-ium?
The InChIKey is IOLQWFQLCNMKAZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H8N2/c1-2-6-4-3-5-1/h1,6H,2-4H2/p+1.
What are the key properties of 1,2,3,6-tetrahydropyrazin-4-ium?
1,2,3,6-tetrahydropyrazin-4-ium has a molecular weight of 85.13 g/mol, XLogP of -2.26, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyrazin-4-ium is sourced from PubChem (CID 21099903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).