4-ethyl-5-hexoxy-6-phenyltriazine

C17H23N3O — CID 67125281

IUPAC4-ethyl-5-hexoxy-6-phenyltriazine
SMILESCCCCCCOc1c(CC)nnnc1-c1ccccc1
InChIInChI=1S/C17H23N3O/c1-3-5-6-10-13-21-17-15(4-2)18-20-19-16(17)14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3
InChIKeyKINAFOKTGLNAAW-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.06
Rot. Bonds8

About 4-ethyl-5-hexoxy-6-phenyltriazine

4-ethyl-5-hexoxy-6-phenyltriazine (PubChem CID 67125281) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-ethyl-5-hexoxy-6-phenyltriazine.

Molecular Properties

Compound Name4-ethyl-5-hexoxy-6-phenyltriazine
PubChem CID67125281
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-ethyl-5-hexoxy-6-phenyltriazine
SMILESCCCCCCOc1c(CC)nnnc1-c1ccccc1
InChIInChI=1S/C17H23N3O/c1-3-5-6-10-13-21-17-15(4-2)18-20-19-16(17)14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3
InChIKeyKINAFOKTGLNAAW-UHFFFAOYSA-N
XLogP4.06
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-dioctoxyphenyl)-5-methoxy-6-phenyltriazine
CID 150639751
3-ethyl-2-hexoxyphenol;5-methoxy-4-phenyltriazine
CID 66601021
9,10-dioctoxyanthracene
CID 21304201
1,3-difluoro-2-octoxy-5-phenylbenzene
CID 15176798
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1,1'-biphenyl;hexadecane
CID 173308514
9,10-dibutoxyanthracene;9,10-dipentoxyanthracene
CID 159695719
pentoxybenzene;undecane
CID 174778179
1,1'-biphenyl;4-octadecoxyphenol
CID 158943857
4-hexoxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium
CID 12922323
1-pentoxy-4-phenylbenzene
CID 7021155
2,3-dimethyl-1,4-di(nonoxy)naphthalene
CID 153323309

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-hexoxy-6-phenyltriazine?
The IUPAC name of 4-ethyl-5-hexoxy-6-phenyltriazine (CID 67125281) is 4-ethyl-5-hexoxy-6-phenyltriazine.
What is the SMILES notation for 4-ethyl-5-hexoxy-6-phenyltriazine?
The canonical SMILES for 4-ethyl-5-hexoxy-6-phenyltriazine is CCCCCCOc1c(CC)nnnc1-c1ccccc1.
What is the InChIKey of 4-ethyl-5-hexoxy-6-phenyltriazine?
The InChIKey is KINAFOKTGLNAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-5-6-10-13-21-17-15(4-2)18-20-19-16(17)14-11-8-7-9-12-14/h7-9,11-12H,3-6,10,13H2,1-2H3.
What are the key properties of 4-ethyl-5-hexoxy-6-phenyltriazine?
4-ethyl-5-hexoxy-6-phenyltriazine has a molecular weight of 285.39 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-hexoxy-6-phenyltriazine is sourced from PubChem (CID 67125281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).