4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole

C24H23N3 — CID 71762541

IUPAC4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole
SMILESCCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(C)c1C
InChIInChI=1S/C24H23N3/c1-4-23-25-26-24(27(23)22-12-8-9-17(2)18(22)3)21-15-13-20(14-16-21)19-10-6-5-7-11-19/h5-16H,4H2,1-3H3
InChIKeyRVUWASDCOIJWGK-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.78
Rot. Bonds4

About 4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole

4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole (PubChem CID 71762541) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole
PubChem CID71762541
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole
SMILESCCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(C)c1C
InChIInChI=1S/C24H23N3/c1-4-23-25-26-24(27(23)22-12-8-9-17(2)18(22)3)21-15-13-20(14-16-21)19-10-6-5-7-11-19/h5-16H,4H2,1-3H3
InChIKeyRVUWASDCOIJWGK-UHFFFAOYSA-N
XLogP5.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole?
The IUPAC name of 4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole (CID 71762541) is 4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole is CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(C)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole?
The InChIKey is RVUWASDCOIJWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-4-23-25-26-24(27(23)22-12-8-9-17(2)18(22)3)21-15-13-20(14-16-21)19-10-6-5-7-11-19/h5-16H,4H2,1-3H3.
What are the key properties of 4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole?
4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole has a molecular weight of 353.47 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-3-ethyl-5-(4-phenylphenyl)-1,2,4-triazole is sourced from PubChem (CID 71762541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).