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

C17H17N3 — CID 24975976

IUPAC1,3-diphenyl-5-propyl-1,2,4-triazole
SMILESCCCc1nc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-2-9-16-18-17(14-10-5-3-6-11-14)19-20(16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3
InChIKeyHTNHTPBBAZGVJA-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.89
Rot. Bonds4

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

1,3-diphenyl-5-propyl-1,2,4-triazole (PubChem CID 24975976) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1,3-diphenyl-5-propyl-1,2,4-triazole.

Molecular Properties

Compound Name1,3-diphenyl-5-propyl-1,2,4-triazole
PubChem CID24975976
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name1,3-diphenyl-5-propyl-1,2,4-triazole
SMILESCCCc1nc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C17H17N3/c1-2-9-16-18-17(14-10-5-3-6-11-14)19-20(16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3
InChIKeyHTNHTPBBAZGVJA-UHFFFAOYSA-N
XLogP3.89
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-hexyl-1H-1,2,4-triazole
CID 10136173
3-biphenyl-4-yl-4-(2-fluorophenyl)-5-isopropyl-4H-1,2,4-triazole
CID 22019234
1H-Tetrazole, 1,5-diphenyl-
CID 139033
1H-1,2,4-Triazole, 5-methyl-1-(4-nitrophenyl)-3-phenyl-
CID 821736
3,5-Bis(3-aminophenyl)-4H-1,2,4-triazol-4-amine
CID 5302316
diphenyl-1H-1,2,4-triazole-3-carboxylic acid
CID 735580
3,4,5-Triphenyl-1,2,4-triazole
CID 626762
3-chloro-4,5-diphenyl-4H-1,2,4-triazole
CID 12267314
4-[1-(4-aminophenyl)-1H-tetraazol-5-yl]phenylamine
CID 852671
1-(4-Methylphenyl)-5-(3-methylphenyl)-1,2,3,4-tetraazole
CID 855892
1-(4-methylphenyl)-5-phenyl-1H-tetrazole
CID 3638362
1-(2-Methylphenyl)-5-phenyl-1H-tetrazole
CID 2054464

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-5-propyl-1,2,4-triazole?
The IUPAC name of 1,3-diphenyl-5-propyl-1,2,4-triazole (CID 24975976) is 1,3-diphenyl-5-propyl-1,2,4-triazole.
What is the SMILES notation for 1,3-diphenyl-5-propyl-1,2,4-triazole?
The canonical SMILES for 1,3-diphenyl-5-propyl-1,2,4-triazole is CCCc1nc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-5-propyl-1,2,4-triazole?
The InChIKey is HTNHTPBBAZGVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-9-16-18-17(14-10-5-3-6-11-14)19-20(16)15-12-7-4-8-13-15/h3-8,10-13H,2,9H2,1H3.
What are the key properties of 1,3-diphenyl-5-propyl-1,2,4-triazole?
1,3-diphenyl-5-propyl-1,2,4-triazole has a molecular weight of 263.34 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-5-propyl-1,2,4-triazole is sourced from PubChem (CID 24975976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).