N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide

C13H11F3N4O — CID 75489260

IUPACN-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide
SMILESO=C(Cc1cc(F)c(F)cc1F)Nc1n[nH]c(C2CC2)n1
InChIInChI=1S/C13H11F3N4O/c14-8-5-10(16)9(15)3-7(8)4-11(21)17-13-18-12(19-20-13)6-1-2-6/h3,5-6H,1-2,4H2,(H2,17,18,19,20,21)
InChIKeyWENQAWDSLYDXGE-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.28
Rot. Bonds4

About N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide

N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide (PubChem CID 75489260) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide
PubChem CID75489260
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC NameN-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide
SMILESO=C(Cc1cc(F)c(F)cc1F)Nc1n[nH]c(C2CC2)n1
InChIInChI=1S/C13H11F3N4O/c14-8-5-10(16)9(15)3-7(8)4-11(21)17-13-18-12(19-20-13)6-1-2-6/h3,5-6H,1-2,4H2,(H2,17,18,19,20,21)
InChIKeyWENQAWDSLYDXGE-UHFFFAOYSA-N
XLogP2.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]benzamide
CID 2340641
3-(2,5-difluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)propanamide
CID 51107555
2-(4-fluorophenyl)-N-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 51107569
1-{4-[(5-Ethyl-4H-1,2,4-triazol-3-YL)methyl]piperidin-1-YL}-2-(3-fluorophenyl)ethan-1-one
CID 91909431
N-(3-trifluoromethyl-1h-1,2,4-triazol-5-yl)-2,3,4,5-tetrafluorobenzamide
CID 12164575
N-(5-Methyl-4H-1,2,4-triazol-3-YL)benzamide
CID 53015134
N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]cyclopentanecarboxamide
CID 9246816
2-(4-methylphenyl)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 43051715
2-(3,4-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)cyclopropane-1-carboxamide
CID 75448846
N-(5-cyclobutyl-1H-1,2,4-triazol-3-yl)-2,5-difluorobenzamide
CID 86791283
(2R)-2-(2,6-difluorophenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)propanamide
CID 97803425
5-[(2,6-difluorophenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 19904225

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide?
The IUPAC name of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide (CID 75489260) is N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide?
The canonical SMILES for N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide is O=C(Cc1cc(F)c(F)cc1F)Nc1n[nH]c(C2CC2)n1.
What is the InChIKey of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide?
The InChIKey is WENQAWDSLYDXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c14-8-5-10(16)9(15)3-7(8)4-11(21)17-13-18-12(19-20-13)6-1-2-6/h3,5-6H,1-2,4H2,(H2,17,18,19,20,21).
What are the key properties of N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide?
N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide has a molecular weight of 296.25 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-2-(2,4,5-trifluorophenyl)acetamide is sourced from PubChem (CID 75489260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).