3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde

C13H12N4O — CID 174701604

IUPAC3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde
SMILESO=CN1CC(c2nccnc2-c2cccnc2)C1
InChIInChI=1S/C13H12N4O/c18-9-17-7-11(8-17)13-12(15-4-5-16-13)10-2-1-3-14-6-10/h1-6,9,11H,7-8H2
InChIKeyPVFGVAUSFINSGD-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.09
Rot. Bonds3

About 3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde

3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde (PubChem CID 174701604) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde
PubChem CID174701604
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde
SMILESO=CN1CC(c2nccnc2-c2cccnc2)C1
InChIInChI=1S/C13H12N4O/c18-9-17-7-11(8-17)13-12(15-4-5-16-13)10-2-1-3-14-6-10/h1-6,9,11H,7-8H2
InChIKeyPVFGVAUSFINSGD-UHFFFAOYSA-N
XLogP1.09
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde?
The IUPAC name of 3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde (CID 174701604) is 3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde.
What is the SMILES notation for 3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde?
The canonical SMILES for 3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde is O=CN1CC(c2nccnc2-c2cccnc2)C1.
What is the InChIKey of 3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde?
The InChIKey is PVFGVAUSFINSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c18-9-17-7-11(8-17)13-12(15-4-5-16-13)10-2-1-3-14-6-10/h1-6,9,11H,7-8H2.
What are the key properties of 3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde?
3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde has a molecular weight of 240.27 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-ylpyrazin-2-yl)azetidine-1-carbaldehyde is sourced from PubChem (CID 174701604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).