4a,5-dihydropyrido[3,4-b]pyrazine

C7H7N3 — CID 25234749

IUPAC4a,5-dihydropyrido[3,4-b]pyrazine
SMILESC1=NCC2N=CC=NC2=C1
InChIInChI=1S/C7H7N3/c1-2-8-5-7-6(1)9-3-4-10-7/h1-4,7H,5H2
InChIKeyICRMNBZPWGNNLF-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.48
Rot. Bonds

About 4a,5-dihydropyrido[3,4-b]pyrazine

4a,5-dihydropyrido[3,4-b]pyrazine (PubChem CID 25234749) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 4a,5-dihydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name4a,5-dihydropyrido[3,4-b]pyrazine
PubChem CID25234749
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name4a,5-dihydropyrido[3,4-b]pyrazine
SMILESC1=NCC2N=CC=NC2=C1
InChIInChI=1S/C7H7N3/c1-2-8-5-7-6(1)9-3-4-10-7/h1-4,7H,5H2
InChIKeyICRMNBZPWGNNLF-UHFFFAOYSA-N
XLogP0.48
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4a,8a-Dihydropyrido[2,3-b]pyrazine
CID 57055296
2,3-Dihydropyridine-3,4-diamine
CID 89105867
3,8a-Dihydro-1,5-naphthyridine
CID 91252353
N-(2,3-dihydropyridin-4-yl)methanimine
CID 123278686
(8aS)-4a,8a-dihydropyrido[2,3-b]pyrazine
CID 132192346
7aH-pyrrolo[3,2-b]pyridine
CID 153453924
5-Chloro-4a,5-dihydropyrido[3,4-b]pyrazine
CID 121522138

Frequently Asked Questions

What is the IUPAC name of 4a,5-dihydropyrido[3,4-b]pyrazine?
The IUPAC name of 4a,5-dihydropyrido[3,4-b]pyrazine (CID 25234749) is 4a,5-dihydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 4a,5-dihydropyrido[3,4-b]pyrazine?
The canonical SMILES for 4a,5-dihydropyrido[3,4-b]pyrazine is C1=NCC2N=CC=NC2=C1.
What is the InChIKey of 4a,5-dihydropyrido[3,4-b]pyrazine?
The InChIKey is ICRMNBZPWGNNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-8-5-7-6(1)9-3-4-10-7/h1-4,7H,5H2.
What are the key properties of 4a,5-dihydropyrido[3,4-b]pyrazine?
4a,5-dihydropyrido[3,4-b]pyrazine has a molecular weight of 133.15 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5-dihydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 25234749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).