4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine

C20H18BrN3 — CID 118330916

IUPAC4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine
SMILESBrc1ccc(N2C(c3ccccc3)NNC2c2ccccc2)cc1
InChIInChI=1S/C20H18BrN3/c21-17-11-13-18(14-12-17)24-19(15-7-3-1-4-8-15)22-23-20(24)16-9-5-2-6-10-16/h1-14,19-20,22-23H
InChIKeyMNUJJFPDKVNUJX-UHFFFAOYSA-N
MW380.29 g/mol
LogP4.76
Rot. Bonds3

About 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine

4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine (PubChem CID 118330916) has the molecular formula C20H18BrN3 and a molecular weight of 380.29 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine.

Molecular Properties

Compound Name4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine
PubChem CID118330916
Molecular FormulaC20H18BrN3
Molecular Weight380.29 g/mol
Exact Mass379.07
IUPAC Name4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine
SMILESBrc1ccc(N2C(c3ccccc3)NNC2c2ccccc2)cc1
InChIInChI=1S/C20H18BrN3/c21-17-11-13-18(14-12-17)24-19(15-7-3-1-4-8-15)22-23-20(24)16-9-5-2-6-10-16/h1-14,19-20,22-23H
InChIKeyMNUJJFPDKVNUJX-UHFFFAOYSA-N
XLogP4.76
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.29
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine?
The IUPAC name of 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine (CID 118330916) is 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine.
What is the SMILES notation for 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine?
The canonical SMILES for 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine is Brc1ccc(N2C(c3ccccc3)NNC2c2ccccc2)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine?
The InChIKey is MNUJJFPDKVNUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3/c21-17-11-13-18(14-12-17)24-19(15-7-3-1-4-8-15)22-23-20(24)16-9-5-2-6-10-16/h1-14,19-20,22-23H.
What are the key properties of 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine?
4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine has a molecular weight of 380.29 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3,5-diphenyl-1,2,4-triazolidine is sourced from PubChem (CID 118330916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).