3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine

C22H16ClN3O — CID 6413361

IUPAC3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine
SMILESClc1ccc(COc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16ClN3O/c23-19-13-11-16(12-14-19)15-27-22-24-20(17-7-3-1-4-8-17)21(25-26-22)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyXWJBHJBDOCVXAS-UHFFFAOYSA-N
MW373.84 g/mol
LogP5.44
Rot. Bonds5

About 3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine

3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine (PubChem CID 6413361) has the molecular formula C22H16ClN3O and a molecular weight of 373.84 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine
PubChem CID6413361
Molecular FormulaC22H16ClN3O
Molecular Weight373.84 g/mol
Exact Mass373.10
IUPAC Name3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine
SMILESClc1ccc(COc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16ClN3O/c23-19-13-11-16(12-14-19)15-27-22-24-20(17-7-3-1-4-8-17)21(25-26-22)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyXWJBHJBDOCVXAS-UHFFFAOYSA-N
XLogP5.44
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-3-(2,2-dimethylpropoxy)-5-(4-propylphenyl)-1,2,4-triazine
CID 21440987
5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine
CID 134997336
5,6-bis(4-chlorophenyl)-3-methoxy-1,2,4-triazine
CID 3053063
2-(4-chlorophenyl)-4-[(4-chlorophenyl)methoxy]quinazoline
CID 23852658
5,6-diphenyl-3-propan-2-yloxy-1,2,4-triazine
CID 3053062
2,6-dichloro-4-[3-[(4-chlorophenyl)methoxy]-1,2,4-triazin-6-yl]phenol
CID 135870512
5-chloro-2-(5-chloro-4-phenylpyrimidin-2-yl)oxy-4-phenylpyrimidine
CID 170781390
2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
CID 155576945
3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
CID 21026465
[1-[(4-chlorophenyl)methoxy]isoquinolin-3-yl]methanamine
CID 65125880
1-chloro-4-[(4-phenoxyphenoxy)methyl]benzene
CID 54171722
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine?
The IUPAC name of 3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine (CID 6413361) is 3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine.
What is the SMILES notation for 3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine?
The canonical SMILES for 3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine is Clc1ccc(COc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine?
The InChIKey is XWJBHJBDOCVXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN3O/c23-19-13-11-16(12-14-19)15-27-22-24-20(17-7-3-1-4-8-17)21(25-26-22)18-9-5-2-6-10-18/h1-14H,15H2.
What are the key properties of 3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine?
3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine has a molecular weight of 373.84 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine is sourced from PubChem (CID 6413361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).