1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole

C24H18N4 — CID 132534548

IUPAC1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole
SMILESc1ccc(-c2[nH]c(-c3ccccc3)c(-n3cncn3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H18N4/c1-4-10-18(11-5-1)21-22(19-12-6-2-7-13-19)27-23(20-14-8-3-9-15-20)24(21)28-17-25-16-26-28/h1-17,27H
InChIKeyZMYOYAORZBGRDP-UHFFFAOYSA-N
MW362.44 g/mol
LogP5.60
Rot. Bonds4

About 1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole

1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole (PubChem CID 132534548) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole
PubChem CID132534548
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole
SMILESc1ccc(-c2[nH]c(-c3ccccc3)c(-n3cncn3)c2-c2ccccc2)cc1
InChIInChI=1S/C24H18N4/c1-4-10-18(11-5-1)21-22(19-12-6-2-7-13-19)27-23(20-14-8-3-9-15-20)24(21)28-17-25-16-26-28/h1-17,27H
InChIKeyZMYOYAORZBGRDP-UHFFFAOYSA-N
XLogP5.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole?
The IUPAC name of 1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole (CID 132534548) is 1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole.
What is the SMILES notation for 1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole?
The canonical SMILES for 1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole is c1ccc(-c2[nH]c(-c3ccccc3)c(-n3cncn3)c2-c2ccccc2)cc1.
What is the InChIKey of 1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole?
The InChIKey is ZMYOYAORZBGRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c1-4-10-18(11-5-1)21-22(19-12-6-2-7-13-19)27-23(20-14-8-3-9-15-20)24(21)28-17-25-16-26-28/h1-17,27H.
What are the key properties of 1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole?
1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole has a molecular weight of 362.44 g/mol, XLogP of 5.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole is sourced from PubChem (CID 132534548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).