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

C16H10Cl3N3O2 — CID 135870512

IUPAC2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol
SMILESOc1c(Cl)cc(-c2cnc(OCc3ccc(Cl)cc3)nn2)cc1Cl
InChIInChI=1S/C16H10Cl3N3O2/c17-11-3-1-9(2-4-11)8-24-16-20-7-14(21-22-16)10-5-12(18)15(23)13(19)6-10/h1-7,23H,8H2
InChIKeyWRKNABOIQDXCSH-UHFFFAOYSA-N
MW382.63 g/mol
LogP4.78
Rot. Bonds4

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

2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol (PubChem CID 135870512) has the molecular formula C16H10Cl3N3O2 and a molecular weight of 382.63 g/mol. Its IUPAC name is 2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol
PubChem CID135870512
Molecular FormulaC16H10Cl3N3O2
Molecular Weight382.63 g/mol
Exact Mass380.98
IUPAC Name2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol
SMILESOc1c(Cl)cc(-c2cnc(OCc3ccc(Cl)cc3)nn2)cc1Cl
InChIInChI=1S/C16H10Cl3N3O2/c17-11-3-1-9(2-4-11)8-24-16-20-7-14(21-22-16)10-5-12(18)15(23)13(19)6-10/h1-7,23H,8H2
InChIKeyWRKNABOIQDXCSH-UHFFFAOYSA-N
XLogP4.78
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.63
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,6-dichloro-4-[3-[(4-chlorophenyl)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

Related Compounds

2,6-dibromo-4-(3-phenylmethoxy-1,2,4-triazin-6-yl)phenol
CID 135870423
4-[3-[2-(benzylamino)ethoxy]-1,2,4-triazin-6-yl]-2,6-dichlorophenol
CID 135870537
4-[3-[2-[benzyl(methyl)amino]ethoxy]-1,2,4-triazin-6-yl]-2,6-dichlorophenol
CID 135870553
5-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403507
3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine
CID 6413361
6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275895
4-[(4-chlorophenyl)methoxy]benzene-1,2-diol
CID 139941742
5-chloro-2-[(4-chlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 77056964
3,4-dichloro-N-[[4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 23789762
2,6-dichloro-4-[5-(3,5-dichloro-4-hydroxyphenyl)-6-ethylpyrazin-2-yl]phenol
CID 139631900
2,6-dichloro-4-[3-[hydroxy-(4-methylphenyl)-phenylmethyl]-1,2,4-triazin-6-yl]phenol
CID 143883617
5-[3-[(4-chlorophenyl)methoxy]phenyl]-2H-triazole-4-carboxamide
CID 169403109

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol (CID 135870512) is 2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol is Oc1c(Cl)cc(-c2cnc(OCc3ccc(Cl)cc3)nn2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol?
The InChIKey is WRKNABOIQDXCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl3N3O2/c17-11-3-1-9(2-4-11)8-24-16-20-7-14(21-22-16)10-5-12(18)15(23)13(19)6-10/h1-7,23H,8H2.
What are the key properties of 2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol?
2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol has a molecular weight of 382.63 g/mol, XLogP of 4.78, 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-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 135870512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).