(3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium

C10H15N2+ — CID 175635930

IUPAC(3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium
SMILESCC/C=C\C=C1/CN=CC=[N+]1C
InChIInChI=1S/C10H15N2/c1-3-4-5-6-10-9-11-7-8-12(10)2/h4-8H,3,9H2,1-2H3/q+1/b5-4-,10-6+
InChIKeyDEABKLUVMYGBEH-VWJYOPCBSA-N
MW163.24 g/mol
LogP1.63
Rot. Bonds2

About (3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium

(3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium (PubChem CID 175635930) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is (3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium.

Molecular Properties

Compound Name(3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium
PubChem CID175635930
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name(3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium
SMILESCC/C=C\C=C1/CN=CC=[N+]1C
InChIInChI=1S/C10H15N2/c1-3-4-5-6-10-9-11-7-8-12(10)2/h4-8H,3,9H2,1-2H3/q+1/b5-4-,10-6+
InChIKeyDEABKLUVMYGBEH-VWJYOPCBSA-N
XLogP1.63
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium 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 (3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium?
The IUPAC name of (3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium (CID 175635930) is (3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium.
What is the SMILES notation for (3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium?
The canonical SMILES for (3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium is CC/C=C\C=C1/CN=CC=[N+]1C.
What is the InChIKey of (3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium?
The InChIKey is DEABKLUVMYGBEH-VWJYOPCBSA-N. The full InChI is InChI=1S/C10H15N2/c1-3-4-5-6-10-9-11-7-8-12(10)2/h4-8H,3,9H2,1-2H3/q+1/b5-4-,10-6+.
What are the key properties of (3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium?
(3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium has a molecular weight of 163.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methyl-3-[(Z)-pent-2-enylidene]-2H-pyrazin-4-ium is sourced from PubChem (CID 175635930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).