6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde

C10H14N2O — CID 23594857

IUPAC6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde
SMILESCC(C)(C)Cc1cncc(C=O)n1
InChIInChI=1S/C10H14N2O/c1-10(2,3)4-8-5-11-6-9(7-13)12-8/h5-7H,4H2,1-3H3
InChIKeyNWVPHJOYVIGRAX-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.88
Rot. Bonds2

About 6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde

6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde (PubChem CID 23594857) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde
PubChem CID23594857
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde
SMILESCC(C)(C)Cc1cncc(C=O)n1
InChIInChI=1S/C10H14N2O/c1-10(2,3)4-8-5-11-6-9(7-13)12-8/h5-7H,4H2,1-3H3
InChIKeyNWVPHJOYVIGRAX-UHFFFAOYSA-N
XLogP1.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
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 6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde?
The IUPAC name of 6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde (CID 23594857) is 6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde.
What is the SMILES notation for 6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde?
The canonical SMILES for 6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde is CC(C)(C)Cc1cncc(C=O)n1.
What is the InChIKey of 6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde?
The InChIKey is NWVPHJOYVIGRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-10(2,3)4-8-5-11-6-9(7-13)12-8/h5-7H,4H2,1-3H3.
What are the key properties of 6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde?
6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde has a molecular weight of 178.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)pyrazine-2-carbaldehyde is sourced from PubChem (CID 23594857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).