4-butyl-3,5-diphenyl-1,2,4-triazole

C18H19N3 — CID 658444

IUPAC4-butyl-3,5-diphenyl-1,2,4-triazole
SMILESCCCCn1c(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C18H19N3/c1-2-3-14-21-17(15-10-6-4-7-11-15)19-20-18(21)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyGJEBQBDUMKDUCL-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.41
Rot. Bonds5

About 4-butyl-3,5-diphenyl-1,2,4-triazole

4-butyl-3,5-diphenyl-1,2,4-triazole (PubChem CID 658444) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-butyl-3,5-diphenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-butyl-3,5-diphenyl-1,2,4-triazole
PubChem CID658444
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name4-butyl-3,5-diphenyl-1,2,4-triazole
SMILESCCCCn1c(-c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C18H19N3/c1-2-3-14-21-17(15-10-6-4-7-11-15)19-20-18(21)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3
InChIKeyGJEBQBDUMKDUCL-UHFFFAOYSA-N
XLogP4.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Triamiphos
CID 13943
3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
1H-Tetrazole, 1-ethyl-5-phenyl-
CID 100270
1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
CID 213226
1-Benzyl-5-phenyl-1H-tetraazole
CID 307907
3-(1-Adamantyl)-4-methyl-5-phenyl-1,2,4-triazole
CID 10193044
4-Benzyl-5-phenyl-1,2,4-triazol-3-amine
CID 15563296
4-Methyl-3,5-bis[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11682215
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 853732
1-methyl-3-phenyl-1H-1,2,4-triazol-5-amine
CID 12581307
3-(4-Butyl-2-methylphenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 44448649

Frequently Asked Questions

What is the IUPAC name of 4-butyl-3,5-diphenyl-1,2,4-triazole?
The IUPAC name of 4-butyl-3,5-diphenyl-1,2,4-triazole (CID 658444) is 4-butyl-3,5-diphenyl-1,2,4-triazole.
What is the SMILES notation for 4-butyl-3,5-diphenyl-1,2,4-triazole?
The canonical SMILES for 4-butyl-3,5-diphenyl-1,2,4-triazole is CCCCn1c(-c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of 4-butyl-3,5-diphenyl-1,2,4-triazole?
The InChIKey is GJEBQBDUMKDUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-3-14-21-17(15-10-6-4-7-11-15)19-20-18(21)16-12-8-5-9-13-16/h4-13H,2-3,14H2,1H3.
What are the key properties of 4-butyl-3,5-diphenyl-1,2,4-triazole?
4-butyl-3,5-diphenyl-1,2,4-triazole has a molecular weight of 277.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-3,5-diphenyl-1,2,4-triazole is sourced from PubChem (CID 658444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).