(3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine

C9H10N2 — CID 89263783

IUPAC(3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine
SMILESC=C/C=C\C=C1/CN=CC=N1
InChIInChI=1S/C9H10N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-7H,1,8H2/b4-3-,9-5+
InChIKeyCYEVPRQSCBWKMZ-XBURUKCPSA-N
MW146.19 g/mol
LogP1.77
Rot. Bonds2

About (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine

(3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine (PubChem CID 89263783) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine.

Molecular Properties

Compound Name(3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine
PubChem CID89263783
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine
SMILESC=C/C=C\C=C1/CN=CC=N1
InChIInChI=1S/C9H10N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-7H,1,8H2/b4-3-,9-5+
InChIKeyCYEVPRQSCBWKMZ-XBURUKCPSA-N
XLogP1.77
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine with MolForge

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

Launch Full Analysis

Related Compounds

Pyrido[1,2-d][1,4]diazepine
CID 129873038
(E,1E)-N-fluoro-N-methyl-1-(3-methylidenepyrazin-2-ylidene)but-2-en-2-amine
CID 144154868
ZINC quinoxaline
CID 129856977
4,6-dihydro-1H-pyrido[1,2-a]pyrazine
CID 54042125
lithium 5H-quinoxalin-5-ide
CID 87499320
(2E,4Z)-1-(prop-2-enylideneamino)hexa-2,4-dien-2-amine
CID 88547835
N-[(3Z)-penta-1,3-dien-2-yl]ethanimine
CID 88948676
5H-quinoxalin-5-ide;rhodium
CID 88955708
azanylidynecobalt;N-phenylethanimine
CID 89057031
N-[(2Z,4Z,6Z)-5-(ethylideneamino)octa-2,4,6-trien-4-yl]ethanimine
CID 89207277
(3E)-6-bromo-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine
CID 89514175
N-[(2Z,4E)-hexa-2,4-dien-2-yl]ethanimine
CID 89899368

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine?
The IUPAC name of (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine (CID 89263783) is (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine.
What is the SMILES notation for (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine?
The canonical SMILES for (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine is C=C/C=C\C=C1/CN=CC=N1.
What is the InChIKey of (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine?
The InChIKey is CYEVPRQSCBWKMZ-XBURUKCPSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-7H,1,8H2/b4-3-,9-5+.
What are the key properties of (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine?
(3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine has a molecular weight of 146.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine is sourced from PubChem (CID 89263783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).