1,2,4a,5-tetrahydroquinoxaline

C8H10N2 — CID 22174869

IUPAC1,2,4a,5-tetrahydroquinoxaline
SMILESC1=CCC2N=CCNC2=C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-3,6,8-9H,4-5H2
InChIKeyDZWGMFSKAIHIFF-UHFFFAOYSA-N
MW134.18 g/mol
LogP0.87
Rot. Bonds

About 1,2,4a,5-tetrahydroquinoxaline

1,2,4a,5-tetrahydroquinoxaline (PubChem CID 22174869) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1,2,4a,5-tetrahydroquinoxaline.

Molecular Properties

Compound Name1,2,4a,5-tetrahydroquinoxaline
PubChem CID22174869
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1,2,4a,5-tetrahydroquinoxaline
SMILESC1=CCC2N=CCNC2=C1
InChIInChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-3,6,8-9H,4-5H2
InChIKeyDZWGMFSKAIHIFF-UHFFFAOYSA-N
XLogP0.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,4a,5-tetrahydroquinoxaline?
The IUPAC name of 1,2,4a,5-tetrahydroquinoxaline (CID 22174869) is 1,2,4a,5-tetrahydroquinoxaline.
What is the SMILES notation for 1,2,4a,5-tetrahydroquinoxaline?
The canonical SMILES for 1,2,4a,5-tetrahydroquinoxaline is C1=CCC2N=CCNC2=C1.
What is the InChIKey of 1,2,4a,5-tetrahydroquinoxaline?
The InChIKey is DZWGMFSKAIHIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-3,6,8-9H,4-5H2.
What are the key properties of 1,2,4a,5-tetrahydroquinoxaline?
1,2,4a,5-tetrahydroquinoxaline has a molecular weight of 134.18 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4a,5-tetrahydroquinoxaline is sourced from PubChem (CID 22174869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).