3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine

C16H15F3N4O — CID 131934038

IUPAC3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine
SMILESNCCCc1nc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)11-5-7-12(8-6-11)23-14(4-1-9-20)21-15(22-23)13-3-2-10-24-13/h2-3,5-8,10H,1,4,9,20H2
InChIKeyZEPFTDFTCWYGAC-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.44
Rot. Bonds5

About 3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine

3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine (PubChem CID 131934038) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is 3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine
PubChem CID131934038
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC Name3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine
SMILESNCCCc1nc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)11-5-7-12(8-6-11)23-14(4-1-9-20)21-15(22-23)13-3-2-10-24-13/h2-3,5-8,10H,1,4,9,20H2
InChIKeyZEPFTDFTCWYGAC-UHFFFAOYSA-N
XLogP3.44
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,5-dimethylphenyl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethanamine
CID 131922638
N-[4-[3-[(4-fluorophenyl)methoxy]-5-(furan-2-yl)-1,2,4-triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 42669622
N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide
CID 46087835
N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-4-phenoxybutanamide
CID 83278592
1-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]tetrazole
CID 72935472
3-[4-[5-butyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,4-triazol-3-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 175841865
5-[2-[2-tert-butyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]ethyl]-4-methyl-1,3-thiazole
CID 72885214
1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
CID 155676510
4-(furan-2-yl)-10-(4-methylphenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 4908452
ethyl 4-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate
CID 177207537
ethyl 3-(furan-2-yl)-7-[4-(trifluoromethyl)benzoyl]pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 4153674
2-[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 46310275

Frequently Asked Questions

What is the IUPAC name of 3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine?
The IUPAC name of 3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine (CID 131934038) is 3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine?
The canonical SMILES for 3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine is NCCCc1nc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine?
The InChIKey is ZEPFTDFTCWYGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)11-5-7-12(8-6-11)23-14(4-1-9-20)21-15(22-23)13-3-2-10-24-13/h2-3,5-8,10H,1,4,9,20H2.
What are the key properties of 3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine?
3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine has a molecular weight of 336.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]propan-1-amine is sourced from PubChem (CID 131934038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).