4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline

C15H17N3O — CID 114476341

IUPAC4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline
SMILESC=CCc1cc(N)ccc1Oc1cnc(C)c(C)n1
InChIInChI=1S/C15H17N3O/c1-4-5-12-8-13(16)6-7-14(12)19-15-9-17-10(2)11(3)18-15/h4,6-9H,1,5,16H2,2-3H3
InChIKeyJGDBPJFECYEHCY-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.20
Rot. Bonds4

About 4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline

4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline (PubChem CID 114476341) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline.

Molecular Properties

Compound Name4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline
PubChem CID114476341
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline
SMILESC=CCc1cc(N)ccc1Oc1cnc(C)c(C)n1
InChIInChI=1S/C15H17N3O/c1-4-5-12-8-13(16)6-7-14(12)19-15-9-17-10(2)11(3)18-15/h4,6-9H,1,5,16H2,2-3H3
InChIKeyJGDBPJFECYEHCY-UHFFFAOYSA-N
XLogP3.20
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline 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 4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline?
The IUPAC name of 4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline (CID 114476341) is 4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline.
What is the SMILES notation for 4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline?
The canonical SMILES for 4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline is C=CCc1cc(N)ccc1Oc1cnc(C)c(C)n1.
What is the InChIKey of 4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline?
The InChIKey is JGDBPJFECYEHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-4-5-12-8-13(16)6-7-14(12)19-15-9-17-10(2)11(3)18-15/h4,6-9H,1,5,16H2,2-3H3.
What are the key properties of 4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline?
4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline has a molecular weight of 255.32 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dimethylpyrazin-2-yl)oxy-3-prop-2-enylaniline is sourced from PubChem (CID 114476341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).