2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol

C16H9Cl2F2N3O2 — CID 135870557

IUPAC2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol
SMILESOc1c(Cl)cc(-c2cnc(OCc3ccc(F)cc3F)nn2)cc1Cl
InChIInChI=1S/C16H9Cl2F2N3O2/c17-11-3-9(4-12(18)15(11)24)14-6-21-16(23-22-14)25-7-8-1-2-10(19)5-13(8)20/h1-6,24H,7H2
InChIKeyRIFZJOWFTLEZSK-UHFFFAOYSA-N
MW384.17 g/mol
LogP4.41
Rot. Bonds4

About 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol

2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol (PubChem CID 135870557) has the molecular formula C16H9Cl2F2N3O2 and a molecular weight of 384.17 g/mol. Its IUPAC name is 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol
PubChem CID135870557
Molecular FormulaC16H9Cl2F2N3O2
Molecular Weight384.17 g/mol
Exact Mass383.00
IUPAC Name2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol
SMILESOc1c(Cl)cc(-c2cnc(OCc3ccc(F)cc3F)nn2)cc1Cl
InChIInChI=1S/C16H9Cl2F2N3O2/c17-11-3-9(4-12(18)15(11)24)14-6-21-16(23-22-14)25-7-8-1-2-10(19)5-13(8)20/h1-6,24H,7H2
InChIKeyRIFZJOWFTLEZSK-UHFFFAOYSA-N
XLogP4.41
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.17
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol 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 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol (CID 135870557) is 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol is Oc1c(Cl)cc(-c2cnc(OCc3ccc(F)cc3F)nn2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol?
The InChIKey is RIFZJOWFTLEZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F2N3O2/c17-11-3-9(4-12(18)15(11)24)14-6-21-16(23-22-14)25-7-8-1-2-10(19)5-13(8)20/h1-6,24H,7H2.
What are the key properties of 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol?
2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol has a molecular weight of 384.17 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[3-[(2,4-difluorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 135870557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).