N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide

C11H15F3N4O2 — CID 71793275

IUPACN-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide
SMILESCn1c(C(F)(F)F)nn(CCNC(=O)C2CCC2)c1=O
InChIInChI=1S/C11H15F3N4O2/c1-17-9(11(12,13)14)16-18(10(17)20)6-5-15-8(19)7-3-2-4-7/h7H,2-6H2,1H3,(H,15,19)
InChIKeyBDIGFSWTIXCWII-UHFFFAOYSA-N
MW292.26 g/mol
LogP0.52
Rot. Bonds4

About N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide

N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide (PubChem CID 71793275) has the molecular formula C11H15F3N4O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide
PubChem CID71793275
Molecular FormulaC11H15F3N4O2
Molecular Weight292.26 g/mol
Exact Mass292.11
IUPAC NameN-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide
SMILESCn1c(C(F)(F)F)nn(CCNC(=O)C2CCC2)c1=O
InChIInChI=1S/C11H15F3N4O2/c1-17-9(11(12,13)14)16-18(10(17)20)6-5-15-8(19)7-3-2-4-7/h7H,2-6H2,1H3,(H,15,19)
InChIKeyBDIGFSWTIXCWII-UHFFFAOYSA-N
XLogP0.52
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide?
The IUPAC name of N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide (CID 71793275) is N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide?
The canonical SMILES for N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide is Cn1c(C(F)(F)F)nn(CCNC(=O)C2CCC2)c1=O.
What is the InChIKey of N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide?
The InChIKey is BDIGFSWTIXCWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O2/c1-17-9(11(12,13)14)16-18(10(17)20)6-5-15-8(19)7-3-2-4-7/h7H,2-6H2,1H3,(H,15,19).
What are the key properties of N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide?
N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide has a molecular weight of 292.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]cyclobutanecarboxamide is sourced from PubChem (CID 71793275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).