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

C21H14ClN3 — CID 134997336

IUPAC5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C21H14ClN3/c22-18-13-11-16(12-14-18)19-20(15-7-3-1-4-8-15)24-25-21(23-19)17-9-5-2-6-10-17/h1-14H
InChIKeyRTELWPUCKJQWFT-UHFFFAOYSA-N
MW343.82 g/mol
LogP5.53
Rot. Bonds3

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

5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine (PubChem CID 134997336) has the molecular formula C21H14ClN3 and a molecular weight of 343.82 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine
PubChem CID134997336
Molecular FormulaC21H14ClN3
Molecular Weight343.82 g/mol
Exact Mass343.09
IUPAC Name5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine
SMILESClc1ccc(-c2nc(-c3ccccc3)nnc2-c2ccccc2)cc1
InChIInChI=1S/C21H14ClN3/c22-18-13-11-16(12-14-18)19-20(15-7-3-1-4-8-15)24-25-21(23-19)17-9-5-2-6-10-17/h1-14H
InChIKeyRTELWPUCKJQWFT-UHFFFAOYSA-N
XLogP5.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.82
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[4-(5,6-diphenyl-1,2,4-triazin-3-yl)phenyl]phenyl]-5,6-diphenyl-1,2,4-triazine;methane
CID 158126148
2-[4-[6-(4-chlorophenyl)-3-phenyl-1,2,4-triazin-5-yl]phenyl]-1,10-phenanthroline
CID 156901494
3,7-bis(4-chlorophenyl)-2,8-diphenylpyrazino[2,3-g]quinoxaline
CID 21026465
2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
CID 155576945
6-(4-chlorophenyl)-3-phenyl-5-(2,2,2-trifluoroethoxy)-1,2,4-triazine
CID 6405015
2-(4-chlorophenyl)-5-iodo-6-phenylpyrimidin-4-amine
CID 66294114
3,6-diphenyl-1,2,4-triazin-5-amine
CID 15532257
6-chloro-3-(4-chlorophenyl)-2-phenylquinoxaline
CID 132520838
N,N-dimethyl-6-(4-methylphenyl)-3-phenyl-1,2,4-triazin-5-amine
CID 6403262
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
2-(4-chlorophenyl)-4-phenylbenzo[h]quinazoline
CID 163453888
3-[(4-chlorophenyl)methoxy]-5,6-diphenyl-1,2,4-triazine
CID 6413361

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine?
The IUPAC name of 5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine (CID 134997336) is 5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine.
What is the SMILES notation for 5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine?
The canonical SMILES for 5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine is Clc1ccc(-c2nc(-c3ccccc3)nnc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine?
The InChIKey is RTELWPUCKJQWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN3/c22-18-13-11-16(12-14-18)19-20(15-7-3-1-4-8-15)24-25-21(23-19)17-9-5-2-6-10-17/h1-14H.
What are the key properties of 5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine?
5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine has a molecular weight of 343.82 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3,6-diphenyl-1,2,4-triazine is sourced from PubChem (CID 134997336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).