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

C10H6Cl2FN3O2 — CID 14276987

IUPAC2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)cnn(-c2cc(Cl)c(Cl)cc2F)c1=O
InChIInChI=1S/C10H6Cl2FN3O2/c1-15-9(17)4-14-16(10(15)18)8-3-6(12)5(11)2-7(8)13/h2-4H,1H3
InChIKeyLYUSGCRJNBMGHN-UHFFFAOYSA-N
MW290.08 g/mol
LogP1.38
Rot. Bonds1

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

2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione (PubChem CID 14276987) has the molecular formula C10H6Cl2FN3O2 and a molecular weight of 290.08 g/mol. Its IUPAC name is 2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione
PubChem CID14276987
Molecular FormulaC10H6Cl2FN3O2
Molecular Weight290.08 g/mol
Exact Mass288.98
IUPAC Name2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione
SMILESCn1c(=O)cnn(-c2cc(Cl)c(Cl)cc2F)c1=O
InChIInChI=1S/C10H6Cl2FN3O2/c1-15-9(17)4-14-16(10(15)18)8-3-6(12)5(11)2-7(8)13/h2-4H,1H3
InChIKeyLYUSGCRJNBMGHN-UHFFFAOYSA-N
XLogP1.38
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.08
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione (CID 14276987) is 2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione is Cn1c(=O)cnn(-c2cc(Cl)c(Cl)cc2F)c1=O.
What is the InChIKey of 2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is LYUSGCRJNBMGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2FN3O2/c1-15-9(17)4-14-16(10(15)18)8-3-6(12)5(11)2-7(8)13/h2-4H,1H3.
What are the key properties of 2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione?
2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 290.08 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-2-fluorophenyl)-4-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 14276987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).