6H-pyrrolo[3,4-b]pyrazine

C6H5N3 — CID 14143688

IUPAC6H-pyrrolo[3,4-b]pyrazine
SMILESc1cnc2c[nH]cc2n1
InChIInChI=1S/C6H5N3/c1-2-9-6-4-7-3-5(6)8-1/h1-4,7H
InChIKeyXIHDHBFNKNNONN-UHFFFAOYSA-N
MW119.13 g/mol
LogP0.96
Rot. Bonds

About 6H-pyrrolo[3,4-b]pyrazine

6H-pyrrolo[3,4-b]pyrazine (PubChem CID 14143688) has the molecular formula C6H5N3 and a molecular weight of 119.13 g/mol. Its IUPAC name is 6H-pyrrolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6H-pyrrolo[3,4-b]pyrazine
PubChem CID14143688
Molecular FormulaC6H5N3
Molecular Weight119.13 g/mol
Exact Mass119.05
IUPAC Name6H-pyrrolo[3,4-b]pyrazine
SMILESc1cnc2c[nH]cc2n1
InChIInChI=1S/C6H5N3/c1-2-9-6-4-7-3-5(6)8-1/h1-4,7H
InChIKeyXIHDHBFNKNNONN-UHFFFAOYSA-N
XLogP0.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-pyrrolo[3,4-b]pyrazine?
The IUPAC name of 6H-pyrrolo[3,4-b]pyrazine (CID 14143688) is 6H-pyrrolo[3,4-b]pyrazine.
What is the SMILES notation for 6H-pyrrolo[3,4-b]pyrazine?
The canonical SMILES for 6H-pyrrolo[3,4-b]pyrazine is c1cnc2c[nH]cc2n1.
What is the InChIKey of 6H-pyrrolo[3,4-b]pyrazine?
The InChIKey is XIHDHBFNKNNONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3/c1-2-9-6-4-7-3-5(6)8-1/h1-4,7H.
What are the key properties of 6H-pyrrolo[3,4-b]pyrazine?
6H-pyrrolo[3,4-b]pyrazine has a molecular weight of 119.13 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrrolo[3,4-b]pyrazine is sourced from PubChem (CID 14143688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).