3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole

C17H16ClN3 — CID 63384355

IUPAC3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole
SMILESCCCc1ccc(-n2c(Cl)nnc2-c2ccccc2)cc1
InChIInChI=1S/C17H16ClN3/c1-2-6-13-9-11-15(12-10-13)21-16(19-20-17(21)18)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3
InChIKeyOZAVIBJPRIRQTJ-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.54
Rot. Bonds4

About 3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole

3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole (PubChem CID 63384355) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole
PubChem CID63384355
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole
SMILESCCCc1ccc(-n2c(Cl)nnc2-c2ccccc2)cc1
InChIInChI=1S/C17H16ClN3/c1-2-6-13-9-11-15(12-10-13)21-16(19-20-17(21)18)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3
InChIKeyOZAVIBJPRIRQTJ-UHFFFAOYSA-N
XLogP4.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole
CID 59844968
3-chloro-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 11077118
3-chloro-4-phenyl-5-propyl-1,2,4-triazole
CID 63384640
4-(3-bromo-4-methylphenyl)-3-chloro-5-phenyl-1,2,4-triazole
CID 63385450
3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole
CID 59845057
3-chloro-4-(3-fluorophenyl)-5-phenyl-1,2,4-triazole
CID 63384103
3-chloro-4-(2,3-dihydro-1H-inden-5-yl)-5-phenyl-1,2,4-triazole
CID 63383941
1-phenyl-4-(4-propylphenyl)piperazine
CID 141108902
3-[4-[3-(4-ethylphenyl)-5-phenyl-1,2,4-triazol-4-yl]phenyl]pyridine
CID 59266244
3-chloro-4-(2-chloro-6-methylphenyl)-5-phenyl-1,2,4-triazole
CID 66253948
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719
3-chloro-4-pentan-3-yl-5-phenyl-1,2,4-triazole
CID 63384340

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole (CID 63384355) is 3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole is CCCc1ccc(-n2c(Cl)nnc2-c2ccccc2)cc1.
What is the InChIKey of 3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole?
The InChIKey is OZAVIBJPRIRQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-2-6-13-9-11-15(12-10-13)21-16(19-20-17(21)18)14-7-4-3-5-8-14/h3-5,7-12H,2,6H2,1H3.
What are the key properties of 3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole?
3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole has a molecular weight of 297.79 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-phenyl-4-(4-propylphenyl)-1,2,4-triazole is sourced from PubChem (CID 63384355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).