4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde

C7H12N2O — CID 57319480

IUPAC4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde
SMILESCC1=NC(C=O)CN(C)C1
InChIInChI=1S/C7H12N2O/c1-6-3-9(2)4-7(5-10)8-6/h5,7H,3-4H2,1-2H3
InChIKeyVNBCANWNQOOVFV-UHFFFAOYSA-N
MW140.19 g/mol
LogP-0.04
Rot. Bonds1

About 4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde

4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde (PubChem CID 57319480) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde.

Molecular Properties

Compound Name4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde
PubChem CID57319480
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde
SMILESCC1=NC(C=O)CN(C)C1
InChIInChI=1S/C7H12N2O/c1-6-3-9(2)4-7(5-10)8-6/h5,7H,3-4H2,1-2H3
InChIKeyVNBCANWNQOOVFV-UHFFFAOYSA-N
XLogP-0.04
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.04
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 4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde?
The IUPAC name of 4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde (CID 57319480) is 4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde.
What is the SMILES notation for 4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde?
The canonical SMILES for 4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde is CC1=NC(C=O)CN(C)C1.
What is the InChIKey of 4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde?
The InChIKey is VNBCANWNQOOVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-6-3-9(2)4-7(5-10)8-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde?
4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde has a molecular weight of 140.19 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3,5-dihydro-2H-pyrazine-2-carbaldehyde is sourced from PubChem (CID 57319480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).