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

C22H24ClN3 — CID 134916199

IUPAC6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine
SMILESCc1ccc(C2C=C(c3ccc(Cl)cc3)N=NN2C2CCCCC2)cc1
InChIInChI=1S/C22H24ClN3/c1-16-7-9-18(10-8-16)22-15-21(17-11-13-19(23)14-12-17)24-25-26(22)20-5-3-2-4-6-20/h7-15,20,22H,2-6H2,1H3
InChIKeyOTPNSYZJANPAJB-UHFFFAOYSA-N
MW365.91 g/mol
LogP6.75
Rot. Bonds3

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

6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine (PubChem CID 134916199) has the molecular formula C22H24ClN3 and a molecular weight of 365.91 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine
PubChem CID134916199
Molecular FormulaC22H24ClN3
Molecular Weight365.91 g/mol
Exact Mass365.17
IUPAC Name6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine
SMILESCc1ccc(C2C=C(c3ccc(Cl)cc3)N=NN2C2CCCCC2)cc1
InChIInChI=1S/C22H24ClN3/c1-16-7-9-18(10-8-16)22-15-21(17-11-13-19(23)14-12-17)24-25-26(22)20-5-3-2-4-6-20/h7-15,20,22H,2-6H2,1H3
InChIKeyOTPNSYZJANPAJB-UHFFFAOYSA-N
XLogP6.75
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.91
LogP ≤ 56.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methoxyphenyl)-4H-triazine
CID 134916261
3-tert-butyl-4,6-bis(4-methylphenyl)-4H-triazine
CID 134916077
5-(4-chlorophenyl)-7-(4-methylphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 4066312
6-(4-chlorophenyl)-4-phenyl-3-propan-2-yl-4H-triazine
CID 134916139
3,5-bis(4-chlorophenyl)-4-cyclohexyl-2-(4-methylphenyl)sulfonyl-3H-1,2,4-triazole
CID 135063237
2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl-4,6-diphenyl-4H-pyrimidine
CID 102126195
4-(4-chlorophenyl)-5-cyclopentyl-3-(4-methylphenyl)-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43856670
3-(4-chlorophenyl)-1-cyclohexyl-5-hydroxy-5-(4-methylphenyl)pyrrol-2-one
CID 101437578
5-(4-chlorophenyl)-2-[(4-methylphenyl)methylidene]-7-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-one
CID 23944728
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441
1-(1-deuteriocyclohexyl)-4-methylbenzene
CID 140825549
2-cyclohexyl-3-(4-methylphenyl)oxaziridine
CID 18541877

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine?
The IUPAC name of 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine (CID 134916199) is 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine.
What is the SMILES notation for 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine?
The canonical SMILES for 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine is Cc1ccc(C2C=C(c3ccc(Cl)cc3)N=NN2C2CCCCC2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine?
The InChIKey is OTPNSYZJANPAJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3/c1-16-7-9-18(10-8-16)22-15-21(17-11-13-19(23)14-12-17)24-25-26(22)20-5-3-2-4-6-20/h7-15,20,22H,2-6H2,1H3.
What are the key properties of 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine?
6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine has a molecular weight of 365.91 g/mol, XLogP of 6.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-cyclohexyl-4-(4-methylphenyl)-4H-triazine is sourced from PubChem (CID 134916199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).