2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione

C10H5Cl2F2N3O2 — CID 175439452

IUPAC2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(-c2cc(Cl)cc(Cl)c2)nc1C(F)F
InChIInChI=1S/C10H5Cl2F2N3O2/c11-4-1-5(12)3-6(2-4)17-10(19)15-9(18)7(16-17)8(13)14/h1-3,8H,(H,15,18,19)
InChIKeyUQTIIGAUAUXYKG-UHFFFAOYSA-N
MW308.07 g/mol
LogP2.17
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione

2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione (PubChem CID 175439452) has the molecular formula C10H5Cl2F2N3O2 and a molecular weight of 308.07 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione
PubChem CID175439452
Molecular FormulaC10H5Cl2F2N3O2
Molecular Weight308.07 g/mol
Exact Mass306.97
IUPAC Name2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]c(=O)n(-c2cc(Cl)cc(Cl)c2)nc1C(F)F
InChIInChI=1S/C10H5Cl2F2N3O2/c11-4-1-5(12)3-6(2-4)17-10(19)15-9(18)7(16-17)8(13)14/h1-3,8H,(H,15,18,19)
InChIKeyUQTIIGAUAUXYKG-UHFFFAOYSA-N
XLogP2.17
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.07
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione (CID 175439452) is 2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione is O=c1[nH]c(=O)n(-c2cc(Cl)cc(Cl)c2)nc1C(F)F.
What is the InChIKey of 2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione?
The InChIKey is UQTIIGAUAUXYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F2N3O2/c11-4-1-5(12)3-6(2-4)17-10(19)15-9(18)7(16-17)8(13)14/h1-3,8H,(H,15,18,19).
What are the key properties of 2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione?
2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione has a molecular weight of 308.07 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-6-(difluoromethyl)-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 175439452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).