2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C8H12F3N5O — CID 66192308

IUPAC2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNCc1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C8H12F3N5O/c1-12-2-6-3-16(15-14-6)4-7(17)13-5-8(9,10)11/h3,12H,2,4-5H2,1H3,(H,13,17)
InChIKeyVSRZOJDPEHTSBB-UHFFFAOYSA-N
MW251.21 g/mol
LogP-0.32
Rot. Bonds5

About 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 66192308) has the molecular formula C8H12F3N5O and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID66192308
Molecular FormulaC8H12F3N5O
Molecular Weight251.21 g/mol
Exact Mass251.10
IUPAC Name2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNCc1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C8H12F3N5O/c1-12-2-6-3-16(15-14-6)4-7(17)13-5-8(9,10)11/h3,12H,2,4-5H2,1H3,(H,13,17)
InChIKeyVSRZOJDPEHTSBB-UHFFFAOYSA-N
XLogP-0.32
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 66192308) is 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CNCc1cn(CC(=O)NCC(F)(F)F)nn1.
What is the InChIKey of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VSRZOJDPEHTSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O/c1-12-2-6-3-16(15-14-6)4-7(17)13-5-8(9,10)11/h3,12H,2,4-5H2,1H3,(H,13,17).
What are the key properties of 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 251.21 g/mol, XLogP of -0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 66192308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).