2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine

C13H11Cl2N3O — CID 62859248

IUPAC2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine
SMILESClc1nc(Cl)nc(OC2CCCc3ccccc32)n1
InChIInChI=1S/C13H11Cl2N3O/c14-11-16-12(15)18-13(17-11)19-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2
InChIKeyIERPEEZIFWQREE-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.63
Rot. Bonds2

About 2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine

2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine (PubChem CID 62859248) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine
PubChem CID62859248
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine
SMILESClc1nc(Cl)nc(OC2CCCc3ccccc32)n1
InChIInChI=1S/C13H11Cl2N3O/c14-11-16-12(15)18-13(17-11)19-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2
InChIKeyIERPEEZIFWQREE-UHFFFAOYSA-N
XLogP3.63
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-4-amine
CID 116797621
[4-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-5-yl]methanamine
CID 83188819
2-chloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-4-carboxylic acid
CID 43166910
6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazin-2-amine
CID 80646899
2-tert-butyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
CID 164708968
4-methyl-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
CID 80859900
5-chloro-N-methyl-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrimidin-2-amine
CID 80860332
5-chloro-3-fluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
CID 79727300
3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyrazine-2-carbonitrile
CID 62683859
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
3-(chloromethyl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine
CID 81234042
N-(1,2,3,4-tetrahydronaphthalen-1-yloxy)methanimine
CID 174418938

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine (CID 62859248) is 2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine is Clc1nc(Cl)nc(OC2CCCc3ccccc32)n1.
What is the InChIKey of 2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine?
The InChIKey is IERPEEZIFWQREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-11-16-12(15)18-13(17-11)19-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2.
What are the key properties of 2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine?
2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine has a molecular weight of 296.16 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)-1,3,5-triazine is sourced from PubChem (CID 62859248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).