3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine

C13H7Cl2N3O — CID 81035461

IUPAC3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C13H7Cl2N3O/c14-11-12(16-13(15)18-17-11)19-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyPBOKMGPQEXXZPI-UHFFFAOYSA-N
MW292.13 g/mol
LogP4.12
Rot. Bonds2

About 3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine

3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine (PubChem CID 81035461) has the molecular formula C13H7Cl2N3O and a molecular weight of 292.13 g/mol. Its IUPAC name is 3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine
PubChem CID81035461
Molecular FormulaC13H7Cl2N3O
Molecular Weight292.13 g/mol
Exact Mass291.00
IUPAC Name3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine
SMILESClc1nnc(Cl)c(Oc2ccc3ccccc3c2)n1
InChIInChI=1S/C13H7Cl2N3O/c14-11-12(16-13(15)18-17-11)19-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H
InChIKeyPBOKMGPQEXXZPI-UHFFFAOYSA-N
XLogP4.12
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine (CID 81035461) is 3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine is Clc1nnc(Cl)c(Oc2ccc3ccccc3c2)n1.
What is the InChIKey of 3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine?
The InChIKey is PBOKMGPQEXXZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O/c14-11-12(16-13(15)18-17-11)19-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H.
What are the key properties of 3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine?
3,6-dichloro-5-naphthalen-2-yloxy-1,2,4-triazine has a molecular weight of 292.13 g/mol, XLogP of 4.12, 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-naphthalen-2-yloxy-1,2,4-triazine is sourced from PubChem (CID 81035461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).