ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine

C13H17N3 — CID 143477468

IUPACethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine
SMILESC=C/C=C\C(=C/C=C)c1ncncn1.CC
InChIInChI=1S/C11H11N3.C2H6/c1-3-5-7-10(6-4-2)11-13-8-12-9-14-11;1-2/h3-9H,1-2H2;1-2H3/b7-5-,10-6+;
InChIKeyFBAIVJLDTYNAOC-RQLYHSFASA-N
MW215.30 g/mol
LogP3.21
Rot. Bonds4

About ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine

ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine (PubChem CID 143477468) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine.

Molecular Properties

Compound Nameethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine
PubChem CID143477468
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Nameethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine
SMILESC=C/C=C\C(=C/C=C)c1ncncn1.CC
InChIInChI=1S/C11H11N3.C2H6/c1-3-5-7-10(6-4-2)11-13-8-12-9-14-11;1-2/h3-9H,1-2H2;1-2H3/b7-5-,10-6+;
InChIKeyFBAIVJLDTYNAOC-RQLYHSFASA-N
XLogP3.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine 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 ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine?
The IUPAC name of ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine (CID 143477468) is ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine.
What is the SMILES notation for ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine?
The canonical SMILES for ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine is C=C/C=C\C(=C/C=C)c1ncncn1.CC.
What is the InChIKey of ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine?
The InChIKey is FBAIVJLDTYNAOC-RQLYHSFASA-N. The full InChI is InChI=1S/C11H11N3.C2H6/c1-3-5-7-10(6-4-2)11-13-8-12-9-14-11;1-2/h3-9H,1-2H2;1-2H3/b7-5-,10-6+;.
What are the key properties of ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine?
ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine has a molecular weight of 215.30 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-1,3,5-triazine is sourced from PubChem (CID 143477468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).