3,4,8,8a-tetrahydroquinoxalin-5-amine

C8H11N3 — CID 175936889

IUPAC3,4,8,8a-tetrahydroquinoxalin-5-amine
SMILESNC1=C2NCC=NC2CC=C1
InChIInChI=1S/C8H11N3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-2,4,7,11H,3,5,9H2
InChIKeyIGQVNEUWKJFFMR-UHFFFAOYSA-N
MW149.20 g/mol
LogP0.16
Rot. Bonds

About 3,4,8,8a-tetrahydroquinoxalin-5-amine

3,4,8,8a-tetrahydroquinoxalin-5-amine (PubChem CID 175936889) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3,4,8,8a-tetrahydroquinoxalin-5-amine.

Molecular Properties

Compound Name3,4,8,8a-tetrahydroquinoxalin-5-amine
PubChem CID175936889
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3,4,8,8a-tetrahydroquinoxalin-5-amine
SMILESNC1=C2NCC=NC2CC=C1
InChIInChI=1S/C8H11N3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-2,4,7,11H,3,5,9H2
InChIKeyIGQVNEUWKJFFMR-UHFFFAOYSA-N
XLogP0.16
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4,8,8a-tetrahydroquinoxalin-5-amine?
The IUPAC name of 3,4,8,8a-tetrahydroquinoxalin-5-amine (CID 175936889) is 3,4,8,8a-tetrahydroquinoxalin-5-amine.
What is the SMILES notation for 3,4,8,8a-tetrahydroquinoxalin-5-amine?
The canonical SMILES for 3,4,8,8a-tetrahydroquinoxalin-5-amine is NC1=C2NCC=NC2CC=C1.
What is the InChIKey of 3,4,8,8a-tetrahydroquinoxalin-5-amine?
The InChIKey is IGQVNEUWKJFFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-2,4,7,11H,3,5,9H2.
What are the key properties of 3,4,8,8a-tetrahydroquinoxalin-5-amine?
3,4,8,8a-tetrahydroquinoxalin-5-amine has a molecular weight of 149.20 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,8,8a-tetrahydroquinoxalin-5-amine is sourced from PubChem (CID 175936889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).