1,5-diphenyl-1,2,4-triazole

C14H11N3 — CID 759888

IUPAC1,5-diphenyl-1,2,4-triazole
SMILESc1ccc(-c2ncnn2-c2ccccc2)cc1
InChIInChI=1S/C14H11N3/c1-3-7-12(8-4-1)14-15-11-16-17(14)13-9-5-2-6-10-13/h1-11H
InChIKeyUWVIKPAJVSOFLA-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.93
Rot. Bonds2

About 1,5-diphenyl-1,2,4-triazole

1,5-diphenyl-1,2,4-triazole (PubChem CID 759888) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name1,5-diphenyl-1,2,4-triazole
PubChem CID759888
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name1,5-diphenyl-1,2,4-triazole
SMILESc1ccc(-c2ncnn2-c2ccccc2)cc1
InChIInChI=1S/C14H11N3/c1-3-7-12(8-4-1)14-15-11-16-17(14)13-9-5-2-6-10-13/h1-11H
InChIKeyUWVIKPAJVSOFLA-UHFFFAOYSA-N
XLogP2.93
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Tetrazole, 1,5-diphenyl-
CID 139033
3,4,5-Triphenyl-1,2,4-triazole
CID 626762
4-(4-Methyl-4H-1,2,4-Triazol-3-Yl)Aniline
CID 2794785
3-chloro-4,5-diphenyl-4H-1,2,4-triazole
CID 12267314
3-methyl-4-phenyl-4H-1,2,4-triazole
CID 12216908
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
Mls002693968
CID 253289
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-ethyl-1,2,4-triazol-3-yl)aniline
CID 22493263
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propyl-1,2,4-triazol-3-yl)aniline
CID 22493265
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(1-methyl-1H-1,2,4-triazol-5-yl)aniline
CID 22493343
1H-1,2,4-Triazole, 1,3,5-triphenyl-
CID 563249

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenyl-1,2,4-triazole?
The IUPAC name of 1,5-diphenyl-1,2,4-triazole (CID 759888) is 1,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 1,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 1,5-diphenyl-1,2,4-triazole is c1ccc(-c2ncnn2-c2ccccc2)cc1.
What is the InChIKey of 1,5-diphenyl-1,2,4-triazole?
The InChIKey is UWVIKPAJVSOFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-3-7-12(8-4-1)14-15-11-16-17(14)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 1,5-diphenyl-1,2,4-triazole?
1,5-diphenyl-1,2,4-triazole has a molecular weight of 221.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 759888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).