N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C8H12F3N5O — CID 79041058

IUPACN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C8H12F3N5O/c1-16(3-6-13-5-14-15-6)7(17)2-12-4-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyPXLVSKQRNCGFSA-UHFFFAOYSA-N
MW251.21 g/mol
LogP-0.09
Rot. Bonds5

About N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79041058) has the molecular formula C8H12F3N5O and a molecular weight of 251.21 g/mol. Its IUPAC name is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79041058
Molecular FormulaC8H12F3N5O
Molecular Weight251.21 g/mol
Exact Mass251.10
IUPAC NameN-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(Cc1ncn[nH]1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C8H12F3N5O/c1-16(3-6-13-5-14-15-6)7(17)2-12-4-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14,15)
InChIKeyPXLVSKQRNCGFSA-UHFFFAOYSA-N
XLogP-0.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)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-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79041058) is N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is CN(Cc1ncn[nH]1)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is PXLVSKQRNCGFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O/c1-16(3-6-13-5-14-15-6)7(17)2-12-4-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,14,15).
What are the key properties of N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 251.21 g/mol, XLogP of -0.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79041058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).