1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole

C26H24N6 — CID 118529672

IUPAC1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole
SMILESCCn1nc(-c2ccccc2)nc1-c1cccc(-c2nc(-c3ccccc3)nn2CC)c1
InChIInChI=1S/C26H24N6/c1-3-31-25(27-23(29-31)19-12-7-5-8-13-19)21-16-11-17-22(18-21)26-28-24(30-32(26)4-2)20-14-9-6-10-15-20/h5-18H,3-4H2,1-2H3
InChIKeyTUIGGMDUNBUFTL-UHFFFAOYSA-N
MW420.52 g/mol
LogP5.58
Rot. Bonds6

About 1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole

1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole (PubChem CID 118529672) has the molecular formula C26H24N6 and a molecular weight of 420.52 g/mol. Its IUPAC name is 1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole
PubChem CID118529672
Molecular FormulaC26H24N6
Molecular Weight420.52 g/mol
Exact Mass420.21
IUPAC Name1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole
SMILESCCn1nc(-c2ccccc2)nc1-c1cccc(-c2nc(-c3ccccc3)nn2CC)c1
InChIInChI=1S/C26H24N6/c1-3-31-25(27-23(29-31)19-12-7-5-8-13-19)21-16-11-17-22(18-21)26-28-24(30-32(26)4-2)20-14-9-6-10-15-20/h5-18H,3-4H2,1-2H3
InChIKeyTUIGGMDUNBUFTL-UHFFFAOYSA-N
XLogP5.58
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole?
The IUPAC name of 1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole (CID 118529672) is 1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole.
What is the SMILES notation for 1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole?
The canonical SMILES for 1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole is CCn1nc(-c2ccccc2)nc1-c1cccc(-c2nc(-c3ccccc3)nn2CC)c1.
What is the InChIKey of 1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole?
The InChIKey is TUIGGMDUNBUFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6/c1-3-31-25(27-23(29-31)19-12-7-5-8-13-19)21-16-11-17-22(18-21)26-28-24(30-32(26)4-2)20-14-9-6-10-15-20/h5-18H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole?
1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole has a molecular weight of 420.52 g/mol, XLogP of 5.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[3-(2-ethyl-5-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-1,2,4-triazole is sourced from PubChem (CID 118529672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).