2-(2,4-dihexoxyphenyl)-1,3,5-triazine

C21H31N3O2 — CID 140984968

IUPAC2-(2,4-dihexoxyphenyl)-1,3,5-triazine
SMILESCCCCCCOc1ccc(-c2ncncn2)c(OCCCCCC)c1
InChIInChI=1S/C21H31N3O2/c1-3-5-7-9-13-25-18-11-12-19(21-23-16-22-17-24-21)20(15-18)26-14-10-8-6-4-2/h11-12,15-17H,3-10,13-14H2,1-2H3
InChIKeyGPVQAXINPRVACN-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.46
Rot. Bonds13

About 2-(2,4-dihexoxyphenyl)-1,3,5-triazine

2-(2,4-dihexoxyphenyl)-1,3,5-triazine (PubChem CID 140984968) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 2-(2,4-dihexoxyphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,4-dihexoxyphenyl)-1,3,5-triazine
PubChem CID140984968
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name2-(2,4-dihexoxyphenyl)-1,3,5-triazine
SMILESCCCCCCOc1ccc(-c2ncncn2)c(OCCCCCC)c1
InChIInChI=1S/C21H31N3O2/c1-3-5-7-9-13-25-18-11-12-19(21-23-16-22-17-24-21)20(15-18)26-14-10-8-6-4-2/h11-12,15-17H,3-10,13-14H2,1-2H3
InChIKeyGPVQAXINPRVACN-UHFFFAOYSA-N
XLogP5.46
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-heptoxyphenyl)-5-nonoxypyrimidine
CID 15065975
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CID 175064444
2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol
CID 137235231
3-butoxy-2-methyl-6-(1,3,5-triazin-2-yl)phenol
CID 146455664
2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine
CID 101057041
4-octoxy-2-propoxyaniline
CID 63676334
[2,4-di(docosoxy)phenyl]methanamine
CID 66652643
1,4-di(pentacontoxy)benzene
CID 88721659
1,4-di(tetradecoxy)benzene
CID 57023723
2-butoxy-7-hexoxyfluoren-9-one
CID 6425371
4-[5-(2,4-dihexoxyphenyl)thiophen-2-yl]-2-[4-[5-(2,4-dihexoxyphenyl)thiophen-2-yl]-2-pyridinyl]pyridine
CID 90097158
4-decoxy-2-hexoxybenzoic acid
CID 141156533

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihexoxyphenyl)-1,3,5-triazine?
The IUPAC name of 2-(2,4-dihexoxyphenyl)-1,3,5-triazine (CID 140984968) is 2-(2,4-dihexoxyphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,4-dihexoxyphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(2,4-dihexoxyphenyl)-1,3,5-triazine is CCCCCCOc1ccc(-c2ncncn2)c(OCCCCCC)c1.
What is the InChIKey of 2-(2,4-dihexoxyphenyl)-1,3,5-triazine?
The InChIKey is GPVQAXINPRVACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-5-7-9-13-25-18-11-12-19(21-23-16-22-17-24-21)20(15-18)26-14-10-8-6-4-2/h11-12,15-17H,3-10,13-14H2,1-2H3.
What are the key properties of 2-(2,4-dihexoxyphenyl)-1,3,5-triazine?
2-(2,4-dihexoxyphenyl)-1,3,5-triazine has a molecular weight of 357.50 g/mol, XLogP of 5.46, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihexoxyphenyl)-1,3,5-triazine is sourced from PubChem (CID 140984968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).