3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde

C11H12N4O — CID 87472455

IUPAC3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde
SMILESCCc1ccc(-c2nccnc2C=O)n1N
InChIInChI=1S/C11H12N4O/c1-2-8-3-4-10(15(8)12)11-9(7-16)13-5-6-14-11/h3-7H,2,12H2,1H3
InChIKeyYKPIQMDUAGJADG-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.03
Rot. Bonds3

About 3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde

3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde (PubChem CID 87472455) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde
PubChem CID87472455
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde
SMILESCCc1ccc(-c2nccnc2C=O)n1N
InChIInChI=1S/C11H12N4O/c1-2-8-3-4-10(15(8)12)11-9(7-16)13-5-6-14-11/h3-7H,2,12H2,1H3
InChIKeyYKPIQMDUAGJADG-UHFFFAOYSA-N
XLogP1.03
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde?
The IUPAC name of 3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde (CID 87472455) is 3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde.
What is the SMILES notation for 3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde?
The canonical SMILES for 3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde is CCc1ccc(-c2nccnc2C=O)n1N.
What is the InChIKey of 3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde?
The InChIKey is YKPIQMDUAGJADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-2-8-3-4-10(15(8)12)11-9(7-16)13-5-6-14-11/h3-7H,2,12H2,1H3.
What are the key properties of 3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde?
3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde has a molecular weight of 216.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-5-ethylpyrrol-2-yl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 87472455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).