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

C9H11F3N4O2 — CID 71793614

IUPACN-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCn1c(C(F)(F)F)nn(CC(=O)NC2CC2)c1=O
InChIInChI=1S/C9H11F3N4O2/c1-15-7(9(10,11)12)14-16(8(15)18)4-6(17)13-5-2-3-5/h5H,2-4H2,1H3,(H,13,17)
InChIKeyCIGIJRITPSEEGU-UHFFFAOYSA-N
MW264.21 g/mol
LogP-0.12
Rot. Bonds3

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

N-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (PubChem CID 71793614) has the molecular formula C9H11F3N4O2 and a molecular weight of 264.21 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
PubChem CID71793614
Molecular FormulaC9H11F3N4O2
Molecular Weight264.21 g/mol
Exact Mass264.08
IUPAC NameN-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
SMILESCn1c(C(F)(F)F)nn(CC(=O)NC2CC2)c1=O
InChIInChI=1S/C9H11F3N4O2/c1-15-7(9(10,11)12)14-16(8(15)18)4-6(17)13-5-2-3-5/h5H,2-4H2,1H3,(H,13,17)
InChIKeyCIGIJRITPSEEGU-UHFFFAOYSA-N
XLogP-0.12
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide (CID 71793614) is N-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is Cn1c(C(F)(F)F)nn(CC(=O)NC2CC2)c1=O.
What is the InChIKey of N-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is CIGIJRITPSEEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N4O2/c1-15-7(9(10,11)12)14-16(8(15)18)4-6(17)13-5-2-3-5/h5H,2-4H2,1H3,(H,13,17).
What are the key properties of N-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide?
N-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 264.21 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 71793614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).