1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine

C7H9N3 — CID 67336942

IUPAC1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine
SMILESC1=CC2NC=CNC2C=N1
InChIInChI=1S/C7H9N3/c1-2-8-5-7-6(1)9-3-4-10-7/h1-7,9-10H
InChIKeyWIKLKATVVPJAEU-UHFFFAOYSA-N
MW135.17 g/mol
LogP-0.01
Rot. Bonds

About 1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine

1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine (PubChem CID 67336942) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine
PubChem CID67336942
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine
SMILESC1=CC2NC=CNC2C=N1
InChIInChI=1S/C7H9N3/c1-2-8-5-7-6(1)9-3-4-10-7/h1-7,9-10H
InChIKeyWIKLKATVVPJAEU-UHFFFAOYSA-N
XLogP-0.01
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine?
The IUPAC name of 1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine (CID 67336942) is 1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine?
The canonical SMILES for 1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine is C1=CC2NC=CNC2C=N1.
What is the InChIKey of 1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine?
The InChIKey is WIKLKATVVPJAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-8-5-7-6(1)9-3-4-10-7/h1-7,9-10H.
What are the key properties of 1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine?
1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine has a molecular weight of 135.17 g/mol, XLogP of -0.01, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4a,8a-tetrahydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 67336942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).