8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline

C16H20N4O — CID 105363136

IUPAC8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline
SMILESCCc1nnc(Oc2cccc3c2NCCC3)nc1CC
InChIInChI=1S/C16H20N4O/c1-3-12-13(4-2)19-20-16(18-12)21-14-9-5-7-11-8-6-10-17-15(11)14/h5,7,9,17H,3-4,6,8,10H2,1-2H3
InChIKeyKHGGJCDBNWBILN-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.15
Rot. Bonds4

About 8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline

8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 105363136) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline
PubChem CID105363136
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline
SMILESCCc1nnc(Oc2cccc3c2NCCC3)nc1CC
InChIInChI=1S/C16H20N4O/c1-3-12-13(4-2)19-20-16(18-12)21-14-9-5-7-11-8-6-10-17-15(11)14/h5,7,9,17H,3-4,6,8,10H2,1-2H3
InChIKeyKHGGJCDBNWBILN-UHFFFAOYSA-N
XLogP3.15
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[(6-ethoxy-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 63589905
2-(1,2,3,4-tetrahydroquinolin-8-yloxy)quinazoline
CID 114789583
8-pyridin-4-yloxy-1,2,3,4-tetrahydroquinoline
CID 54908431
8-(2-methylpyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 62770238
2-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrimidine-4-carbonitrile
CID 107552899
8-pyridin-2-yloxy-1,2,3,4-tetrahydroquinoline
CID 61025631
8-(6-propoxypyrimidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 66332592
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
1-propan-2-yl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)pyrazin-2-one
CID 62929902
8-[(5-fluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 61313548
2,4-dimethyl-6-(1,2,3,4-tetrahydroquinolin-8-yloxy)-1,2,4-triazine-3,5-dione
CID 61025387
8-[(5-tert-butyl-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 107875268

Frequently Asked Questions

What is the IUPAC name of 8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline (CID 105363136) is 8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline is CCc1nnc(Oc2cccc3c2NCCC3)nc1CC.
What is the InChIKey of 8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is KHGGJCDBNWBILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-12-13(4-2)19-20-16(18-12)21-14-9-5-7-11-8-6-10-17-15(11)14/h5,7,9,17H,3-4,6,8,10H2,1-2H3.
What are the key properties of 8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline?
8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 284.36 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5,6-diethyl-1,2,4-triazin-3-yl)oxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 105363136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).