3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline

C14H18N4O — CID 105362894

IUPAC3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline
SMILESCCc1nnc(Oc2cccc(N)c2C)nc1CC
InChIInChI=1S/C14H18N4O/c1-4-11-12(5-2)17-18-14(16-11)19-13-8-6-7-10(15)9(13)3/h6-8H,4-5,15H2,1-3H3
InChIKeyIXTMTXYIZLFONW-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.68
Rot. Bonds4

About 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline

3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline (PubChem CID 105362894) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline.

Molecular Properties

Compound Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline
PubChem CID105362894
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline
SMILESCCc1nnc(Oc2cccc(N)c2C)nc1CC
InChIInChI=1S/C14H18N4O/c1-4-11-12(5-2)17-18-14(16-11)19-13-8-6-7-10(15)9(13)3/h6-8H,4-5,15H2,1-3H3
InChIKeyIXTMTXYIZLFONW-UHFFFAOYSA-N
XLogP2.68
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-2-methylphenoxy)-5,6-diethylpyridazine-4-carbonitrile
CID 80513157
3-(3-amino-2-methylphenoxy)-2-methylaniline
CID 18405813
3-chloro-4-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]aniline
CID 105362891
8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline
CID 105363136
5,6-diethyl-3-(3-iodophenoxy)-1,2,4-triazine
CID 105362314
2-methyl-3-propoxyaniline
CID 23134606
[4-chloro-2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]phenyl]methanamine
CID 105363242
2-methyl-3-phenoxyaniline;hydrochloride
CID 142758143
2-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-5-fluorobenzoic acid
CID 105363223
[2-[(5,6-dimethyl-1,2,4-triazin-3-yl)oxy]-6-fluorophenyl]methanamine
CID 114787502
2-methyl-3-(6-methylpyrimidin-4-yl)oxyaniline
CID 61226507
3-ethyl-2-methylaniline
CID 19879636

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline?
The IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline (CID 105362894) is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline.
What is the SMILES notation for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline?
The canonical SMILES for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline is CCc1nnc(Oc2cccc(N)c2C)nc1CC.
What is the InChIKey of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline?
The InChIKey is IXTMTXYIZLFONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-11-12(5-2)17-18-14(16-11)19-13-8-6-7-10(15)9(13)3/h6-8H,4-5,15H2,1-3H3.
What are the key properties of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline?
3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline has a molecular weight of 258.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-2-methylaniline is sourced from PubChem (CID 105362894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).