3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide

C12H11F3N4O2 — CID 39975862

IUPAC3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCn1ccnn1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)21-10-3-1-2-9(8-10)17-11(20)4-6-19-7-5-16-18-19/h1-3,5,7-8H,4,6H2,(H,17,20)
InChIKeyZPJKBFJFOIQBFU-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.21
Rot. Bonds5

About 3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide

3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide (PubChem CID 39975862) has the molecular formula C12H11F3N4O2 and a molecular weight of 300.24 g/mol. Its IUPAC name is 3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
PubChem CID39975862
Molecular FormulaC12H11F3N4O2
Molecular Weight300.24 g/mol
Exact Mass300.08
IUPAC Name3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide
SMILESO=C(CCn1ccnn1)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C12H11F3N4O2/c13-12(14,15)21-10-3-1-2-9(8-10)17-11(20)4-6-19-7-5-16-18-19/h1-3,5,7-8H,4,6H2,(H,17,20)
InChIKeyZPJKBFJFOIQBFU-UHFFFAOYSA-N
XLogP2.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The IUPAC name of 3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide (CID 39975862) is 3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The canonical SMILES for 3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide is O=C(CCn1ccnn1)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
The InChIKey is ZPJKBFJFOIQBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O2/c13-12(14,15)21-10-3-1-2-9(8-10)17-11(20)4-6-19-7-5-16-18-19/h1-3,5,7-8H,4,6H2,(H,17,20).
What are the key properties of 3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide?
3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide has a molecular weight of 300.24 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triazol-1-yl)-N-[3-(trifluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 39975862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).