3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine

C18H15Cl2N3 — CID 6405156

IUPAC3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1
InChIInChI=1S/C18H15Cl2N3/c1-3-16-17(12-6-4-11(2)5-7-12)22-23-18(21-16)14-9-8-13(19)10-15(14)20/h4-10H,3H2,1-2H3
InChIKeyXYHOTYGYWMQSIL-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.38
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine

3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine (PubChem CID 6405156) has the molecular formula C18H15Cl2N3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine
PubChem CID6405156
Molecular FormulaC18H15Cl2N3
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1
InChIInChI=1S/C18H15Cl2N3/c1-3-16-17(12-6-4-11(2)5-7-12)22-23-18(21-16)14-9-8-13(19)10-15(14)20/h4-10H,3H2,1-2H3
InChIKeyXYHOTYGYWMQSIL-UHFFFAOYSA-N
XLogP5.38
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-4-(iodomethyl)-5,6-dimethylpyrimidine
CID 89358004
N'-[3-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazin-5-yl]ethane-1,2-diamine
CID 171981731
5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole
CID 24954864
3-(2,4-dichlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61278120
2-(2,4-dichlorophenyl)-6-ethylpyrimidin-4-amine
CID 62203520
5-(2,4-dichlorophenyl)-6-ethylpyrimidine-2,4-diamine
CID 10902094
1-chloro-4-methylbenzene;1,2,4-trichlorobenzene
CID 90450640
5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-amine;ethanol;pentane
CID 142247304
2-(2,4-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 170837737
2-(2,4-dichlorophenyl)-3,5-dimethylpyridine
CID 12513322
4-chloro-6-(4-chlorophenyl)-2-ethyl-5-methylpyrimidine
CID 80974653

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine?
The IUPAC name of 3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine (CID 6405156) is 3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine?
The canonical SMILES for 3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine is CCc1nc(-c2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine?
The InChIKey is XYHOTYGYWMQSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3/c1-3-16-17(12-6-4-11(2)5-7-12)22-23-18(21-16)14-9-8-13(19)10-15(14)20/h4-10H,3H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine?
3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine has a molecular weight of 344.25 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine is sourced from PubChem (CID 6405156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).