2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione

C11H9Cl2N3O3 — CID 166847894

IUPAC2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione
SMILESCOc1c(Cl)cc(-n2nc(C)c(=O)[nH]c2=O)cc1Cl
InChIInChI=1S/C11H9Cl2N3O3/c1-5-10(17)14-11(18)16(15-5)6-3-7(12)9(19-2)8(13)4-6/h3-4H,1-2H3,(H,14,17,18)
InChIKeyRIXLFQIXAQROMJ-UHFFFAOYSA-N
MW302.12 g/mol
LogP1.54
Rot. Bonds2

About 2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione

2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione (PubChem CID 166847894) has the molecular formula C11H9Cl2N3O3 and a molecular weight of 302.12 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione
PubChem CID166847894
Molecular FormulaC11H9Cl2N3O3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC Name2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione
SMILESCOc1c(Cl)cc(-n2nc(C)c(=O)[nH]c2=O)cc1Cl
InChIInChI=1S/C11H9Cl2N3O3/c1-5-10(17)14-11(18)16(15-5)6-3-7(12)9(19-2)8(13)4-6/h3-4H,1-2H3,(H,14,17,18)
InChIKeyRIXLFQIXAQROMJ-UHFFFAOYSA-N
XLogP1.54
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione (CID 166847894) is 2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione is COc1c(Cl)cc(-n2nc(C)c(=O)[nH]c2=O)cc1Cl.
What is the InChIKey of 2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is RIXLFQIXAQROMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O3/c1-5-10(17)14-11(18)16(15-5)6-3-7(12)9(19-2)8(13)4-6/h3-4H,1-2H3,(H,14,17,18).
What are the key properties of 2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione?
2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 302.12 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-methoxyphenyl)-6-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 166847894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).