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

C8H9F3N4O — CID 36579671

IUPACN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCC1
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)6-13-7(15-14-6)12-5(16)4-2-1-3-4/h4H,1-3H2,(H2,12,13,14,15,16)
InChIKeyRYDPASMKCJQJOO-UHFFFAOYSA-N
MW234.18 g/mol
LogP1.56
Rot. Bonds2

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

N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide (PubChem CID 36579671) has the molecular formula C8H9F3N4O and a molecular weight of 234.18 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide
PubChem CID36579671
Molecular FormulaC8H9F3N4O
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC NameN-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCC1
InChIInChI=1S/C8H9F3N4O/c9-8(10,11)6-13-7(15-14-6)12-5(16)4-2-1-3-4/h4H,1-3H2,(H2,12,13,14,15,16)
InChIKeyRYDPASMKCJQJOO-UHFFFAOYSA-N
XLogP1.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 51.56
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]cyclobutanecarboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide (CID 36579671) is N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide is O=C(Nc1n[nH]c(C(F)(F)F)n1)C1CCC1.
What is the InChIKey of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide?
The InChIKey is RYDPASMKCJQJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N4O/c9-8(10,11)6-13-7(15-14-6)12-5(16)4-2-1-3-4/h4H,1-3H2,(H2,12,13,14,15,16).
What are the key properties of N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide?
N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]cyclobutanecarboxamide has a molecular weight of 234.18 g/mol, XLogP of 1.56, 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]cyclobutanecarboxamide is sourced from PubChem (CID 36579671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).