5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole

C10H7F4N3 — CID 153091231

IUPAC5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
SMILESCc1c(F)cc(C(F)(F)F)cc1-c1ncn[nH]1
InChIInChI=1S/C10H7F4N3/c1-5-7(9-15-4-16-17-9)2-6(3-8(5)11)10(12,13)14/h2-4H,1H3,(H,15,16,17)
InChIKeyVPFABCUPBBYYNW-UHFFFAOYSA-N
MW245.18 g/mol
LogP2.94
Rot. Bonds1

About 5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole

5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole (PubChem CID 153091231) has the molecular formula C10H7F4N3 and a molecular weight of 245.18 g/mol. Its IUPAC name is 5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
PubChem CID153091231
Molecular FormulaC10H7F4N3
Molecular Weight245.18 g/mol
Exact Mass245.06
IUPAC Name5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
SMILESCc1c(F)cc(C(F)(F)F)cc1-c1ncn[nH]1
InChIInChI=1S/C10H7F4N3/c1-5-7(9-15-4-16-17-9)2-6(3-8(5)11)10(12,13)14/h2-4H,1H3,(H,15,16,17)
InChIKeyVPFABCUPBBYYNW-UHFFFAOYSA-N
XLogP2.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole (CID 153091231) is 5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole is Cc1c(F)cc(C(F)(F)F)cc1-c1ncn[nH]1.
What is the InChIKey of 5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
The InChIKey is VPFABCUPBBYYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F4N3/c1-5-7(9-15-4-16-17-9)2-6(3-8(5)11)10(12,13)14/h2-4H,1H3,(H,15,16,17).
What are the key properties of 5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole?
5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole has a molecular weight of 245.18 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-fluoro-2-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole is sourced from PubChem (CID 153091231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).