5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine

C13H6BrCl2N3O — CID 81035281

IUPAC5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C13H6BrCl2N3O/c14-9-3-1-8-6-10(4-2-7(8)5-9)20-12-11(15)18-19-13(16)17-12/h1-6H
InChIKeyJAXRWUMDLSMUMV-UHFFFAOYSA-N
MW371.02 g/mol
LogP4.89
Rot. Bonds2

About 5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine

5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine (PubChem CID 81035281) has the molecular formula C13H6BrCl2N3O and a molecular weight of 371.02 g/mol. Its IUPAC name is 5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine.

Molecular Properties

Compound Name5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine
PubChem CID81035281
Molecular FormulaC13H6BrCl2N3O
Molecular Weight371.02 g/mol
Exact Mass368.91
IUPAC Name5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C13H6BrCl2N3O/c14-9-3-1-8-6-10(4-2-7(8)5-9)20-12-11(15)18-19-13(16)17-12/h1-6H
InChIKeyJAXRWUMDLSMUMV-UHFFFAOYSA-N
XLogP4.89
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.02
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine?
The IUPAC name of 5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine (CID 81035281) is 5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine.
What is the SMILES notation for 5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine?
The canonical SMILES for 5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine is Clc1nnc(Cl)c(Oc2ccc3cc(Br)ccc3c2)n1.
What is the InChIKey of 5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine?
The InChIKey is JAXRWUMDLSMUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2N3O/c14-9-3-1-8-6-10(4-2-7(8)5-9)20-12-11(15)18-19-13(16)17-12/h1-6H.
What are the key properties of 5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine?
5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine has a molecular weight of 371.02 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-bromonaphthalen-2-yl)oxy-3,6-dichloro-1,2,4-triazine is sourced from PubChem (CID 81035281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).