3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

C12H12F3N3 — CID 56709330

IUPAC3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCCCc1nncn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3/c1-2-4-11-17-16-8-18(11)10-6-3-5-9(7-10)12(13,14)15/h3,5-8H,2,4H2,1H3
InChIKeyGXZWONXWOXWYFM-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.24
Rot. Bonds3

About 3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole

3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 56709330) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID56709330
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESCCCc1nncn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H12F3N3/c1-2-4-11-17-16-8-18(11)10-6-3-5-9(7-10)12(13,14)15/h3,5-8H,2,4H2,1H3
InChIKeyGXZWONXWOXWYFM-UHFFFAOYSA-N
XLogP3.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-phenyl-4H-1,2,4-triazole
CID 12216908
3,4-Diphenyl-4H-1,2,4-triazole
CID 5199040
3-(4-Methyl-4H-1,2,4-triazol-3-yl)aniline
CID 599521
3-Biphenyl-4-yl-4-(2-fluorophenyl)-4H-1,2,4-triazole
CID 50993743
2-(4-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
CID 4613256
4-(2-Fluorophenyl)-3-methyl-5-phenyl-4H-1,2,4-triazole
CID 50993662
[4-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]methanamine
CID 52416427
3-(2-Methylpropyl)-4-phenyl-1,2,4-triazole
CID 115393287
4-(4-Fluorophenyl)-3-methyl-1,2,4-triazole
CID 137653706
1-(3-Trifluoromethylphenyl)-1,2,4-triazole
CID 13714261
1,5-Diphenyl-3-trifluoromethyl-1h-1,2,4-triazole
CID 14027596
1-[2-(Trifluoromethyl)phenyl]-1,2,4-triazole
CID 23180232

Frequently Asked Questions

What is the IUPAC name of 3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 56709330) is 3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole is CCCc1nncn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is GXZWONXWOXWYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-2-4-11-17-16-8-18(11)10-6-3-5-9(7-10)12(13,14)15/h3,5-8H,2,4H2,1H3.
What are the key properties of 3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole?
3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 255.24 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 56709330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).