3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine

C13H11Cl2N3O — CID 81036269

IUPAC3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C13H11Cl2N3O/c14-11-12(16-13(15)18-17-11)19-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2
InChIKeyQPOMOKXCSJLLFP-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.85
Rot. Bonds2

About 3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine

3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine (PubChem CID 81036269) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is 3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine
PubChem CID81036269
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC Name3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C13H11Cl2N3O/c14-11-12(16-13(15)18-17-11)19-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2
InChIKeyQPOMOKXCSJLLFP-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidine
CID 79633379
3,6-dichloro-5-(4-chlorophenoxy)-1,2,4-triazine
CID 81036456
5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine
CID 81035281
4-chloro-5-(chloromethyl)-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidine
CID 107088182
5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)-N-methylpyrimidin-2-amine
CID 80881424
5-chloro-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1H-pyrimidin-6-one
CID 114676337
4-chloro-2-cyclopropyl-6-(2,3-dihydro-1H-inden-5-yloxy)-5-methylpyrimidine
CID 80973259
4-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
CID 80740168
5-bromo-N-methyl-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pyrimidin-2-amine
CID 80873844
[5-chloro-4-(2,3-dihydro-1H-inden-5-yloxy)pyrimidin-2-yl]hydrazine
CID 80917000
5-(2-bromo-4-methoxyphenoxy)-3,6-dichloro-1,2,4-triazine
CID 104707066
2-chloro-6-(2,3-dihydro-1H-inden-5-yloxy)pyrazine
CID 60726088

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine (CID 81036269) is 3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine is Clc1nnc(Cl)c(Oc2ccc3c(c2)CCCC3)n1.
What is the InChIKey of 3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine?
The InChIKey is QPOMOKXCSJLLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c14-11-12(16-13(15)18-17-11)19-10-6-5-8-3-1-2-4-9(8)7-10/h5-7H,1-4H2.
What are the key properties of 3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine?
3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine has a molecular weight of 296.16 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-1,2,4-triazine is sourced from PubChem (CID 81036269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).