2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione

C10H7Cl2N3O2 — CID 12569270

IUPAC2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione
SMILESCc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Cl
InChIInChI=1S/C10H7Cl2N3O2/c1-5-2-6(3-7(11)9(5)12)15-10(17)14-8(16)4-13-15/h2-4H,1H3,(H,14,16,17)
InChIKeyWHPUOIVJUBQWLU-UHFFFAOYSA-N
MW272.09 g/mol
LogP1.54
Rot. Bonds1

About 2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione

2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione (PubChem CID 12569270) has the molecular formula C10H7Cl2N3O2 and a molecular weight of 272.09 g/mol. Its IUPAC name is 2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione
PubChem CID12569270
Molecular FormulaC10H7Cl2N3O2
Molecular Weight272.09 g/mol
Exact Mass270.99
IUPAC Name2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione
SMILESCc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Cl
InChIInChI=1S/C10H7Cl2N3O2/c1-5-2-6(3-7(11)9(5)12)15-10(17)14-8(16)4-13-15/h2-4H,1H3,(H,14,16,17)
InChIKeyWHPUOIVJUBQWLU-UHFFFAOYSA-N
XLogP1.54
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione (CID 12569270) is 2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione is Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Cl.
What is the InChIKey of 2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione?
The InChIKey is WHPUOIVJUBQWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2/c1-5-2-6(3-7(11)9(5)12)15-10(17)14-8(16)4-13-15/h2-4H,1H3,(H,14,16,17).
What are the key properties of 2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione?
2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione has a molecular weight of 272.09 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-5-methylphenyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 12569270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).