5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde

C7H5N3O — CID 5383707

IUPAC5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESO=Cc1c[nH]c2nccnc12
InChIInChI=1S/C7H5N3O/c11-4-5-3-10-7-6(5)8-1-2-9-7/h1-4H,(H,9,10)
InChIKeyFZSSHQHTQKYNQL-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.77
Rot. Bonds1

About 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde

5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 5383707) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
PubChem CID5383707
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESO=Cc1c[nH]c2nccnc12
InChIInChI=1S/C7H5N3O/c11-4-5-3-10-7-6(5)8-1-2-9-7/h1-4H,(H,9,10)
InChIKeyFZSSHQHTQKYNQL-UHFFFAOYSA-N
XLogP0.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The IUPAC name of 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 5383707) is 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde.
What is the SMILES notation for 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The canonical SMILES for 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde is O=Cc1c[nH]c2nccnc12.
What is the InChIKey of 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The InChIKey is FZSSHQHTQKYNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-4-5-3-10-7-6(5)8-1-2-9-7/h1-4H,(H,9,10).
What are the key properties of 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 147.14 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 5383707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).