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

C24H18N4 — CID 132534551

IUPAC4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole
SMILESc1ccc(-c2[nH]c(-c3ccccc3)c(-n3cnnc3)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)28-16-25-26-17-28/h1-17,27H
InChIKeyHQEVJLAQMNZOLI-UHFFFAOYSA-N
MW362.44 g/mol
LogP5.60
Rot. Bonds4

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

4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole (PubChem CID 132534551) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole
PubChem CID132534551
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole
SMILESc1ccc(-c2[nH]c(-c3ccccc3)c(-n3cnnc3)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)28-16-25-26-17-28/h1-17,27H
InChIKeyHQEVJLAQMNZOLI-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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Related Compounds

4-(4,5-diphenyl-1H-imidazol-2-yl)-1,3-diphenyl-1H-pyrazole
CID 11840873
4-[(1H-imidazol-1-yl)methyl]-1,3-diphenyl-1H-pyrazole
CID 17470110
4-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-1H-benzimidazole
CID 57395411
4-[Imidazol-1-yl(phenyl)methyl]-1,5-diphenyl-pyrazole
CID 3012922
2-Phenyl-3-(1H-1,2,4-triazol-5-ylazo)-1H-indole
CID 108709
4-(4,5-diphenyl-1H-imidazol-2-yl)-3-(4-fluorophenyl)-1-phenyl-1H-pyrazole
CID 11840872
4-(4,5-diphenyl-1H-imidazol-2-yl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole
CID 11840871
2-phenyl-3-(1,2,4-triazol-1-yl)-1H-indole
CID 44614418
2-(p-tolyl)-3-(1,2,4-triazol-1-yl)-1H-indole
CID 44614541
2-(4-phenylphenyl)-3-(1,2,4-triazol-1-yl)-1H-indole
CID 44614542
CID 139066803
CID 139066803
N-methyl-1-(5-methyl-1,3-diphenyl-1H-pyrazol-4-yl)-N-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]methanamine
CID 29181043

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole?
The IUPAC name of 4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole (CID 132534551) is 4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole.
What is the SMILES notation for 4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole?
The canonical SMILES for 4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole is c1ccc(-c2[nH]c(-c3ccccc3)c(-n3cnnc3)c2-c2ccccc2)cc1.
What is the InChIKey of 4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole?
The InChIKey is HQEVJLAQMNZOLI-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)28-16-25-26-17-28/h1-17,27H.
What are the key properties of 4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole?
4-(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 4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole is sourced from PubChem (CID 132534551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).