N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide

C10H11F3N4O — CID 86800226

IUPACN-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)n[nH]1)C1CC=CC1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)9-15-7(16-17-9)5-14-8(18)6-3-1-2-4-6/h1-2,6H,3-5H2,(H,14,18)(H,15,16,17)
InChIKeyVONNWXUARPFWGN-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.41
Rot. Bonds3

About N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide

N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 86800226) has the molecular formula C10H11F3N4O and a molecular weight of 260.22 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide
PubChem CID86800226
Molecular FormulaC10H11F3N4O
Molecular Weight260.22 g/mol
Exact Mass260.09
IUPAC NameN-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCc1nc(C(F)(F)F)n[nH]1)C1CC=CC1
InChIInChI=1S/C10H11F3N4O/c11-10(12,13)9-15-7(16-17-9)5-14-8(18)6-3-1-2-4-6/h1-2,6H,3-5H2,(H,14,18)(H,15,16,17)
InChIKeyVONNWXUARPFWGN-UHFFFAOYSA-N
XLogP1.41
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide (CID 86800226) is N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide is O=C(NCc1nc(C(F)(F)F)n[nH]1)C1CC=CC1.
What is the InChIKey of N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is VONNWXUARPFWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4O/c11-10(12,13)9-15-7(16-17-9)5-14-8(18)6-3-1-2-4-6/h1-2,6H,3-5H2,(H,14,18)(H,15,16,17).
What are the key properties of N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide?
N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 260.22 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 86800226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).