2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine

C17H17N3 — CID 131966633

IUPAC2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
SMILESCc1nc(C2=C[C@H](C)CC=C2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H17N3/c1-12-7-6-10-15(11-12)17-19-13(2)18-16(20-17)14-8-4-3-5-9-14/h3-6,8-12H,7H2,1-2H3/t12-/m1/s1
InChIKeySEYPQASYSGLJIG-GFCCVEGCSA-N
MW263.34 g/mol
LogP3.83
Rot. Bonds2

About 2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine

2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 131966633) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID131966633
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine
SMILESCc1nc(C2=C[C@H](C)CC=C2)nc(-c2ccccc2)n1
InChIInChI=1S/C17H17N3/c1-12-7-6-10-15(11-12)17-19-13(2)18-16(20-17)14-8-4-3-5-9-14/h3-6,8-12H,7H2,1-2H3/t12-/m1/s1
InChIKeySEYPQASYSGLJIG-GFCCVEGCSA-N
XLogP3.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylcyclohexa-1,5-dien-1-yl)-4-phenyl-6-(3-triphenylen-2-ylphenyl)-1,3,5-triazine
CID 163629155
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-12-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
CID 166695966
2-methyl-4-[3-(3-methylcyclohexa-1,5-dien-1-yl)phenyl]-6-phenylpyrimidine
CID 138636136
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]-9H-carbazole
CID 118448619
2,9-dimethyl-4-(3-methylcyclohexa-1,5-dien-1-yl)-7-phenyl-1,10-phenanthroline
CID 146321201
9-[7-[4-[4-(3-methylcyclohexa-1,5-dien-1-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]dibenzofuran-1-yl]carbazole
CID 146395981
2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842997
2-[3,5-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842963
2-methyl-4-phenyl-6-(2H-pyrrol-4-yl)-1,3,5-triazine
CID 145083150
2-[3-[3-(5-methyl-4,6-diphenylpyrimidin-2-yl)phenyl]cyclohexa-1,5-dien-1-yl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163689498
2-[4-(1-benzofuran-2-yl)phenyl]-4-dibenzothiophen-4-yl-6-(3-methylcyclohexa-1,5-dien-1-yl)-1,3,5-triazine
CID 146183045
2-(4-cyclohexa-1,5-dien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144569103

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine (CID 131966633) is 2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine is Cc1nc(C2=C[C@H](C)CC=C2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is SEYPQASYSGLJIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17N3/c1-12-7-6-10-15(11-12)17-19-13(2)18-16(20-17)14-8-4-3-5-9-14/h3-6,8-12H,7H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine?
2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 263.34 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-3-methylcyclohexa-1,5-dien-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 131966633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).