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

C10H13F3N4O — CID 72920556

IUPACN-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(C2CC2)nn1CC(F)(F)F
InChIInChI=1S/C10H13F3N4O/c1-6(18)14-4-8-15-9(7-2-3-7)16-17(8)5-10(11,12)13/h7H,2-5H2,1H3,(H,14,18)
InChIKeyHWODDJYKHVUXOY-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.35
Rot. Bonds4

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

N-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide (PubChem CID 72920556) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is N-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide
PubChem CID72920556
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC NameN-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(C2CC2)nn1CC(F)(F)F
InChIInChI=1S/C10H13F3N4O/c1-6(18)14-4-8-15-9(7-2-3-7)16-17(8)5-10(11,12)13/h7H,2-5H2,1H3,(H,14,18)
InChIKeyHWODDJYKHVUXOY-UHFFFAOYSA-N
XLogP1.35
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The IUPAC name of N-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide (CID 72920556) is N-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The canonical SMILES for N-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide is CC(=O)NCc1nc(C2CC2)nn1CC(F)(F)F.
What is the InChIKey of N-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
The InChIKey is HWODDJYKHVUXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-6(18)14-4-8-15-9(7-2-3-7)16-17(8)5-10(11,12)13/h7H,2-5H2,1H3,(H,14,18).
What are the key properties of N-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide?
N-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide has a molecular weight of 262.23 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-cyclopropyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]acetamide is sourced from PubChem (CID 72920556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).