N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide

C7H7F3N4O — CID 2427403

IUPACN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)5-12-6(14-13-5)11-4(15)3-1-2-3/h3H,1-2H2,(H2,11,12,13,14,15)
InChIKeyQJGJBPQNWUQFTG-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.17
Rot. Bonds2

About N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide

N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide (PubChem CID 2427403) has the molecular formula C7H7F3N4O and a molecular weight of 220.15 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide
PubChem CID2427403
Molecular FormulaC7H7F3N4O
Molecular Weight220.15 g/mol
Exact Mass220.06
IUPAC NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)C1CC1
InChIInChI=1S/C7H7F3N4O/c8-7(9,10)5-12-6(14-13-5)11-4(15)3-1-2-3/h3H,1-2H2,(H2,11,12,13,14,15)
InChIKeyQJGJBPQNWUQFTG-UHFFFAOYSA-N
XLogP1.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide (CID 2427403) is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)C1CC1.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide?
The InChIKey is QJGJBPQNWUQFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O/c8-7(9,10)5-12-6(14-13-5)11-4(15)3-1-2-3/h3H,1-2H2,(H2,11,12,13,14,15).
What are the key properties of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide?
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide has a molecular weight of 220.15 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 2427403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).