N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

C11H9F3N4O2 — CID 75447380

IUPACN-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)Nn1cnnc1
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)20-9-3-1-8(2-4-9)5-10(19)17-18-6-15-16-7-18/h1-4,6-7H,5H2,(H,17,19)
InChIKeyBXNAABWVWOFUHK-UHFFFAOYSA-N
MW286.21 g/mol
LogP1.49
Rot. Bonds4

About N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide

N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 75447380) has the molecular formula C11H9F3N4O2 and a molecular weight of 286.21 g/mol. Its IUPAC name is N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID75447380
Molecular FormulaC11H9F3N4O2
Molecular Weight286.21 g/mol
Exact Mass286.07
IUPAC NameN-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cc1ccc(OC(F)(F)F)cc1)Nn1cnnc1
InChIInChI=1S/C11H9F3N4O2/c12-11(13,14)20-9-3-1-8(2-4-9)5-10(19)17-18-6-15-16-7-18/h1-4,6-7H,5H2,(H,17,19)
InChIKeyBXNAABWVWOFUHK-UHFFFAOYSA-N
XLogP1.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 75447380) is N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cc1ccc(OC(F)(F)F)cc1)Nn1cnnc1.
What is the InChIKey of N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is BXNAABWVWOFUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O2/c12-11(13,14)20-9-3-1-8(2-4-9)5-10(19)17-18-6-15-16-7-18/h1-4,6-7H,5H2,(H,17,19).
What are the key properties of N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 286.21 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,4-triazol-4-yl)-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 75447380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).