2,5-dimethyl-3-prop-2-enylpyrazine

C9H12N2 — CID 590243

IUPAC2,5-dimethyl-3-prop-2-enylpyrazine
SMILESC=CCc1nc(C)cnc1C
InChIInChI=1S/C9H12N2/c1-4-5-9-8(3)10-6-7(2)11-9/h4,6H,1,5H2,2-3H3
InChIKeyGHMVLFIPIFJTOS-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.82
Rot. Bonds2

About 2,5-dimethyl-3-prop-2-enylpyrazine

2,5-dimethyl-3-prop-2-enylpyrazine (PubChem CID 590243) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,5-dimethyl-3-prop-2-enylpyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-prop-2-enylpyrazine
PubChem CID590243
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,5-dimethyl-3-prop-2-enylpyrazine
SMILESC=CCc1nc(C)cnc1C
InChIInChI=1S/C9H12N2/c1-4-5-9-8(3)10-6-7(2)11-9/h4,6H,1,5H2,2-3H3
InChIKeyGHMVLFIPIFJTOS-UHFFFAOYSA-N
XLogP1.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-3-prop-2-enylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-prop-2-enylpyrazine?
The IUPAC name of 2,5-dimethyl-3-prop-2-enylpyrazine (CID 590243) is 2,5-dimethyl-3-prop-2-enylpyrazine.
What is the SMILES notation for 2,5-dimethyl-3-prop-2-enylpyrazine?
The canonical SMILES for 2,5-dimethyl-3-prop-2-enylpyrazine is C=CCc1nc(C)cnc1C.
What is the InChIKey of 2,5-dimethyl-3-prop-2-enylpyrazine?
The InChIKey is GHMVLFIPIFJTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-5-9-8(3)10-6-7(2)11-9/h4,6H,1,5H2,2-3H3.
What are the key properties of 2,5-dimethyl-3-prop-2-enylpyrazine?
2,5-dimethyl-3-prop-2-enylpyrazine has a molecular weight of 148.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-prop-2-enylpyrazine is sourced from PubChem (CID 590243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).