2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine

C8H15N3 — CID 152721867

IUPAC2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine
SMILESCCC(=CN)C1=NCCNC1
InChIInChI=1S/C8H15N3/c1-2-7(5-9)8-6-10-3-4-11-8/h5,10H,2-4,6,9H2,1H3
InChIKeyAOENPUGVKLOVLR-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.28
Rot. Bonds2

About 2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine

2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine (PubChem CID 152721867) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine.

Molecular Properties

Compound Name2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine
PubChem CID152721867
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine
SMILESCCC(=CN)C1=NCCNC1
InChIInChI=1S/C8H15N3/c1-2-7(5-9)8-6-10-3-4-11-8/h5,10H,2-4,6,9H2,1H3
InChIKeyAOENPUGVKLOVLR-UHFFFAOYSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine?
The IUPAC name of 2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine (CID 152721867) is 2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine.
What is the SMILES notation for 2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine?
The canonical SMILES for 2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine is CCC(=CN)C1=NCCNC1.
What is the InChIKey of 2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine?
The InChIKey is AOENPUGVKLOVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-7(5-9)8-6-10-3-4-11-8/h5,10H,2-4,6,9H2,1H3.
What are the key properties of 2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine?
2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,6-tetrahydropyrazin-5-yl)but-1-en-1-amine is sourced from PubChem (CID 152721867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).