4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine

C12H14N4 — CID 155264114

IUPAC4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine
SMILESC=C/C=C\C=C(/C=C)Nc1ncnc(C)n1
InChIInChI=1S/C12H14N4/c1-4-6-7-8-11(5-2)16-12-14-9-13-10(3)15-12/h4-9H,1-2H2,3H3,(H,13,14,15,16)/b7-6-,11-8+
InChIKeyOOYPXSVJEJSCLX-BQGCWICQSA-N
MW214.27 g/mol
LogP2.40
Rot. Bonds5

About 4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine

4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine (PubChem CID 155264114) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine
PubChem CID155264114
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine
SMILESC=C/C=C\C=C(/C=C)Nc1ncnc(C)n1
InChIInChI=1S/C12H14N4/c1-4-6-7-8-11(5-2)16-12-14-9-13-10(3)15-12/h4-9H,1-2H2,3H3,(H,13,14,15,16)/b7-6-,11-8+
InChIKeyOOYPXSVJEJSCLX-BQGCWICQSA-N
XLogP2.40
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine 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-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine (CID 155264114) is 4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine is C=C/C=C\C=C(/C=C)Nc1ncnc(C)n1.
What is the InChIKey of 4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine?
The InChIKey is OOYPXSVJEJSCLX-BQGCWICQSA-N. The full InChI is InChI=1S/C12H14N4/c1-4-6-7-8-11(5-2)16-12-14-9-13-10(3)15-12/h4-9H,1-2H2,3H3,(H,13,14,15,16)/b7-6-,11-8+.
What are the key properties of 4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine?
4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine has a molecular weight of 214.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3E,5Z)-octa-1,3,5,7-tetraen-3-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 155264114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).