3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide

C14H15F3N4O2 — CID 51078073

IUPAC3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCn1cncn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N4O2/c1-10(20-13(22)6-7-21-9-18-8-19-21)11-2-4-12(5-3-11)23-14(15,16)17/h2-5,8-10H,6-7H2,1H3,(H,20,22)
InChIKeyZYTUSYSILSENEC-UHFFFAOYSA-N
MW328.29 g/mol
LogP2.44
Rot. Bonds6

About 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide

3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide (PubChem CID 51078073) has the molecular formula C14H15F3N4O2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
PubChem CID51078073
Molecular FormulaC14H15F3N4O2
Molecular Weight328.29 g/mol
Exact Mass328.11
IUPAC Name3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCn1cncn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H15F3N4O2/c1-10(20-13(22)6-7-21-9-18-8-19-21)11-2-4-12(5-3-11)23-14(15,16)17/h2-5,8-10H,6-7H2,1H3,(H,20,22)
InChIKeyZYTUSYSILSENEC-UHFFFAOYSA-N
XLogP2.44
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55741373
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 51075123
2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
4-(1,3-dioxoisoindol-2-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butanamide
CID 46413663
tert-butyl N-[3-oxo-3-[1-[4-(trifluoromethoxy)phenyl]ethylamino]propyl]carbamate
CID 46413620
N-[3-(1,2,4-triazol-1-yl)propyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 47040841
N-[1-(2,4-dichlorophenyl)ethyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 24629761
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720
N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 134036644

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide?
The IUPAC name of 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide (CID 51078073) is 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide is CC(NC(=O)CCn1cncn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide?
The InChIKey is ZYTUSYSILSENEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O2/c1-10(20-13(22)6-7-21-9-18-8-19-21)11-2-4-12(5-3-11)23-14(15,16)17/h2-5,8-10H,6-7H2,1H3,(H,20,22).
What are the key properties of 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide?
3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide has a molecular weight of 328.29 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,4-triazol-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propanamide is sourced from PubChem (CID 51078073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).