2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione

C16H11Cl2N3O3 — CID 134095345

IUPAC2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)cnn(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c1=O
InChIInChI=1S/C16H11Cl2N3O3/c1-20-15(22)9-19-21(16(20)23)11-3-5-12(6-4-11)24-14-7-2-10(17)8-13(14)18/h2-9H,1H3
InChIKeyUVFWZHMKJLBFGM-UHFFFAOYSA-N
MW364.19 g/mol
LogP3.03
Rot. Bonds3

About 2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione

2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione (PubChem CID 134095345) has the molecular formula C16H11Cl2N3O3 and a molecular weight of 364.19 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione
PubChem CID134095345
Molecular FormulaC16H11Cl2N3O3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC Name2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)cnn(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c1=O
InChIInChI=1S/C16H11Cl2N3O3/c1-20-15(22)9-19-21(16(20)23)11-3-5-12(6-4-11)24-14-7-2-10(17)8-13(14)18/h2-9H,1H3
InChIKeyUVFWZHMKJLBFGM-UHFFFAOYSA-N
XLogP3.03
TPSA66.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione (CID 134095345) is 2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione is Cn1c(=O)cnn(-c2ccc(Oc3ccc(Cl)cc3Cl)cc2)c1=O.
What is the InChIKey of 2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is UVFWZHMKJLBFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3/c1-20-15(22)9-19-21(16(20)23)11-3-5-12(6-4-11)24-14-7-2-10(17)8-13(14)18/h2-9H,1H3.
What are the key properties of 2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione?
2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 364.19 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorophenoxy)phenyl]-4-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 134095345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).