5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole

C24H28N4 — CID 143764276

IUPAC5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole
SMILESCCc1cc(C)c(-c2nnc(C)n2-c2ccc3c(c2)c(C)cn3C)cc1CC
InChIInChI=1S/C24H28N4/c1-7-18-11-15(3)22(12-19(18)8-2)24-26-25-17(5)28(24)20-9-10-23-21(13-20)16(4)14-27(23)6/h9-14H,7-8H2,1-6H3
InChIKeyHVGNJESXKPERIT-UHFFFAOYSA-N
MW372.52 g/mol
LogP5.48
Rot. Bonds4

About 5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole

5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole (PubChem CID 143764276) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole.

Molecular Properties

Compound Name5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole
PubChem CID143764276
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole
SMILESCCc1cc(C)c(-c2nnc(C)n2-c2ccc3c(c2)c(C)cn3C)cc1CC
InChIInChI=1S/C24H28N4/c1-7-18-11-15(3)22(12-19(18)8-2)24-26-25-17(5)28(24)20-9-10-23-21(13-20)16(4)14-27(23)6/h9-14H,7-8H2,1-6H3
InChIKeyHVGNJESXKPERIT-UHFFFAOYSA-N
XLogP5.48
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.52
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole?
The IUPAC name of 5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole (CID 143764276) is 5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole.
What is the SMILES notation for 5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole?
The canonical SMILES for 5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole is CCc1cc(C)c(-c2nnc(C)n2-c2ccc3c(c2)c(C)cn3C)cc1CC.
What is the InChIKey of 5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole?
The InChIKey is HVGNJESXKPERIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-7-18-11-15(3)22(12-19(18)8-2)24-26-25-17(5)28(24)20-9-10-23-21(13-20)16(4)14-27(23)6/h9-14H,7-8H2,1-6H3.
What are the key properties of 5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole?
5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole has a molecular weight of 372.52 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,5-diethyl-2-methylphenyl)-5-methyl-1,2,4-triazol-4-yl]-1,3-dimethylindole is sourced from PubChem (CID 143764276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).