N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide

C13H11F3N4O — CID 24686140

IUPACN-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1CC1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)9-3-4-11(20-7-17-6-18-20)10(5-9)19-12(21)8-1-2-8/h3-8H,1-2H2,(H,19,21)
InChIKeyYCZOGZXZCRVZLW-UHFFFAOYSA-N
MW296.25 g/mol
LogP2.63
Rot. Bonds3

About N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide

N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide (PubChem CID 24686140) has the molecular formula C13H11F3N4O and a molecular weight of 296.25 g/mol. Its IUPAC name is N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
PubChem CID24686140
Molecular FormulaC13H11F3N4O
Molecular Weight296.25 g/mol
Exact Mass296.09
IUPAC NameN-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1CC1
InChIInChI=1S/C13H11F3N4O/c14-13(15,16)9-3-4-11(20-7-17-6-18-20)10(5-9)19-12(21)8-1-2-8/h3-8H,1-2H2,(H,19,21)
InChIKeyYCZOGZXZCRVZLW-UHFFFAOYSA-N
XLogP2.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide (CID 24686140) is N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)C1CC1.
What is the InChIKey of N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
The InChIKey is YCZOGZXZCRVZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N4O/c14-13(15,16)9-3-4-11(20-7-17-6-18-20)10(5-9)19-12(21)8-1-2-8/h3-8H,1-2H2,(H,19,21).
What are the key properties of N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide?
N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide has a molecular weight of 296.25 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 24686140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).