1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine

C18H27N3O2 — CID 174592164

IUPAC1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine
SMILESCCCCCCOC1=C(c2ccccc2)C(OC)=NNN1CC
InChIInChI=1S/C18H27N3O2/c1-4-6-7-11-14-23-18-16(15-12-9-8-10-13-15)17(22-3)19-20-21(18)5-2/h8-10,12-13,20H,4-7,11,14H2,1-3H3
InChIKeyYPGCLOWGGWXGAU-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.75
Rot. Bonds8

About 1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine

1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine (PubChem CID 174592164) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine.

Molecular Properties

Compound Name1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine
PubChem CID174592164
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine
SMILESCCCCCCOC1=C(c2ccccc2)C(OC)=NNN1CC
InChIInChI=1S/C18H27N3O2/c1-4-6-7-11-14-23-18-16(15-12-9-8-10-13-15)17(22-3)19-20-21(18)5-2/h8-10,12-13,20H,4-7,11,14H2,1-3H3
InChIKeyYPGCLOWGGWXGAU-UHFFFAOYSA-N
XLogP3.75
TPSA46.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Diphenylsilyloxypentadecane
CID 6329518
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
1,1'-biphenyl;hexadecane
CID 173308514
pentoxybenzene;undecane
CID 174778179
1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine
CID 67134358
1-pentoxy-4-phenylbenzene
CID 7021155
1-octadecoxy-2-phenylbenzene
CID 70983974
3-pentoxy-6-phenylpyridazine
CID 19760650
nonoxymethoxybenzene
CID 151123684
N-octoxyaniline
CID 53446638
hexatriacontoxymethoxybenzene
CID 21131247
4-hexoxy-1,2-dimethyl-3,5-diphenylpyrazol-2-ium
CID 12922323

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine?
The IUPAC name of 1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine (CID 174592164) is 1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine.
What is the SMILES notation for 1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine?
The canonical SMILES for 1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine is CCCCCCOC1=C(c2ccccc2)C(OC)=NNN1CC.
What is the InChIKey of 1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine?
The InChIKey is YPGCLOWGGWXGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-6-7-11-14-23-18-16(15-12-9-8-10-13-15)17(22-3)19-20-21(18)5-2/h8-10,12-13,20H,4-7,11,14H2,1-3H3.
What are the key properties of 1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine?
1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine has a molecular weight of 317.43 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-hexoxy-4-methoxy-5-phenyl-2H-triazine is sourced from PubChem (CID 174592164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).