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

C7H7N3 — CID 70538561

IUPAC4,4a-dihydropyrido[3,4-b]pyrazine
SMILESC1=CC2=NC=CNC2C=N1
InChIInChI=1S/C7H7N3/c1-2-8-5-7-6(1)9-3-4-10-7/h1-5,7,10H
InChIKeyPWWQQEAUEMUERI-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.47
Rot. Bonds

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

4,4a-dihydropyrido[3,4-b]pyrazine (PubChem CID 70538561) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 4,4a-dihydropyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name4,4a-dihydropyrido[3,4-b]pyrazine
PubChem CID70538561
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name4,4a-dihydropyrido[3,4-b]pyrazine
SMILESC1=CC2=NC=CNC2C=N1
InChIInChI=1S/C7H7N3/c1-2-8-5-7-6(1)9-3-4-10-7/h1-5,7,10H
InChIKeyPWWQQEAUEMUERI-UHFFFAOYSA-N
XLogP0.47
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4a-dihydropyrido[3,4-b]pyrazine?
The IUPAC name of 4,4a-dihydropyrido[3,4-b]pyrazine (CID 70538561) is 4,4a-dihydropyrido[3,4-b]pyrazine.
What is the SMILES notation for 4,4a-dihydropyrido[3,4-b]pyrazine?
The canonical SMILES for 4,4a-dihydropyrido[3,4-b]pyrazine is C1=CC2=NC=CNC2C=N1.
What is the InChIKey of 4,4a-dihydropyrido[3,4-b]pyrazine?
The InChIKey is PWWQQEAUEMUERI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-2-8-5-7-6(1)9-3-4-10-7/h1-5,7,10H.
What are the key properties of 4,4a-dihydropyrido[3,4-b]pyrazine?
4,4a-dihydropyrido[3,4-b]pyrazine has a molecular weight of 133.15 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4a-dihydropyrido[3,4-b]pyrazine is sourced from PubChem (CID 70538561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).