6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine

C22H24ClN3O — CID 134916261

IUPAC6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine
SMILESCOc1ccc(C2C=C(c3ccc(Cl)cc3)N=NN2C2CCCCC2)cc1
InChIInChI=1S/C22H24ClN3O/c1-27-20-13-9-17(10-14-20)22-15-21(16-7-11-18(23)12-8-16)24-25-26(22)19-5-3-2-4-6-19/h7-15,19,22H,2-6H2,1H3
InChIKeyALRYQMQGBRSLGD-UHFFFAOYSA-N
MW381.91 g/mol
LogP6.45
Rot. Bonds4

About 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine

6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine (PubChem CID 134916261) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine
PubChem CID134916261
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine
SMILESCOc1ccc(C2C=C(c3ccc(Cl)cc3)N=NN2C2CCCCC2)cc1
InChIInChI=1S/C22H24ClN3O/c1-27-20-13-9-17(10-14-20)22-15-21(16-7-11-18(23)12-8-16)24-25-26(22)19-5-3-2-4-6-19/h7-15,19,22H,2-6H2,1H3
InChIKeyALRYQMQGBRSLGD-UHFFFAOYSA-N
XLogP6.45
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine
CID 134916199
3-(4-chlorophenyl)-5-cyclohexyl-4-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43857433
4-(4-chlorophenyl)-5-cyclohexyl-3-(4-methoxyphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43858804
1-chloro-4-(4-methoxyphenyl)benzene
CID 612791
6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine
CID 134916139
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
2,5-bis(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 3697282
3-chloro-1-cyclododecyl-4-(4-methoxyphenyl)pyrrole-2,5-dione
CID 110583180
(4Z)-5-(4-chlorophenyl)-1-cyclohexyl-4-[hydroxy-(4-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
CID 108600501
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine?
The IUPAC name of 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine (CID 134916261) is 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine?
The canonical SMILES for 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine is COc1ccc(C2C=C(c3ccc(Cl)cc3)N=NN2C2CCCCC2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine?
The InChIKey is ALRYQMQGBRSLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-27-20-13-9-17(10-14-20)22-15-21(16-7-11-18(23)12-8-16)24-25-26(22)19-5-3-2-4-6-19/h7-15,19,22H,2-6H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine?
6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine has a molecular weight of 381.91 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine is sourced from PubChem (CID 134916261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).