acetic acid;2,4-diphenyl-1,3,5-triazine;ethane

C19H21N3O2 — CID 91591144

IUPACacetic acid;2,4-diphenyl-1,3,5-triazine;ethane
SMILESCC.CC(=O)O.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H11N3.C2H4O2.C2H6/c1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;1-2(3)4;1-2/h1-11H;1H3,(H,3,4);1-2H3
InChIKeyJBUZUPUNLHVYRQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.32
Rot. Bonds2

About acetic acid;2,4-diphenyl-1,3,5-triazine;ethane

acetic acid;2,4-diphenyl-1,3,5-triazine;ethane (PubChem CID 91591144) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is acetic acid;2,4-diphenyl-1,3,5-triazine;ethane.

Molecular Properties

Compound Nameacetic acid;2,4-diphenyl-1,3,5-triazine;ethane
PubChem CID91591144
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Nameacetic acid;2,4-diphenyl-1,3,5-triazine;ethane
SMILESCC.CC(=O)O.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H11N3.C2H4O2.C2H6/c1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;1-2(3)4;1-2/h1-11H;1H3,(H,3,4);1-2H3
InChIKeyJBUZUPUNLHVYRQ-UHFFFAOYSA-N
XLogP4.32
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze acetic acid;2,4-diphenyl-1,3,5-triazine;ethane 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

CID 158164242
CID 158164242
acetic acid;1,1'-biphenyl;ethane
CID 91464981
2-phenyl-4-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 134581962
2-(3-methylphenyl)-4-phenyl-1,3,5-triazine
CID 134408534
2-(4-chlorophenyl)-4-(4-phenylphenyl)-1,3,5-triazine
CID 151473661
2-phenyl-4-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 149165836
2,3-dioxo-3-(4-phenyl-1,3,5-triazin-2-yl)propanal
CID 174503573
2,4-diphenyl-1,3,5-triazine;oxolane
CID 174946165
acetic acid;1,1'-biphenyl;zinc
CID 70522083
2-(4-fluoro-3-methylphenyl)-4-phenyl-1,3,5-triazine
CID 174842436
2-phenyl-4-[4-(4-triphenylen-2-ylphenyl)phenyl]-1,3,5-triazine
CID 118583036
2-phenyl-4-(3-phenyl-5-pyridin-4-ylphenyl)-1,3,5-triazine
CID 146569234

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,4-diphenyl-1,3,5-triazine;ethane?
The IUPAC name of acetic acid;2,4-diphenyl-1,3,5-triazine;ethane (CID 91591144) is acetic acid;2,4-diphenyl-1,3,5-triazine;ethane.
What is the SMILES notation for acetic acid;2,4-diphenyl-1,3,5-triazine;ethane?
The canonical SMILES for acetic acid;2,4-diphenyl-1,3,5-triazine;ethane is CC.CC(=O)O.c1ccc(-c2ncnc(-c3ccccc3)n2)cc1.
What is the InChIKey of acetic acid;2,4-diphenyl-1,3,5-triazine;ethane?
The InChIKey is JBUZUPUNLHVYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3.C2H4O2.C2H6/c1-3-7-12(8-4-1)14-16-11-17-15(18-14)13-9-5-2-6-10-13;1-2(3)4;1-2/h1-11H;1H3,(H,3,4);1-2H3.
What are the key properties of acetic acid;2,4-diphenyl-1,3,5-triazine;ethane?
acetic acid;2,4-diphenyl-1,3,5-triazine;ethane has a molecular weight of 323.40 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,4-diphenyl-1,3,5-triazine;ethane is sourced from PubChem (CID 91591144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).