N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide

C8H12F3N5O — CID 78957834

IUPACN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCn1cnnc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H12F3N5O/c1-16-5-14-15-6(16)2-13-7(17)3-12-4-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,17)
InChIKeyAXWNHPFGEAZHSB-UHFFFAOYSA-N
MW251.21 g/mol
LogP-0.42
Rot. Bonds5

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

N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78957834) has the molecular formula C8H12F3N5O and a molecular weight of 251.21 g/mol. Its IUPAC name is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78957834
Molecular FormulaC8H12F3N5O
Molecular Weight251.21 g/mol
Exact Mass251.10
IUPAC NameN-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCn1cnnc1CNC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H12F3N5O/c1-16-5-14-15-6(16)2-13-7(17)3-12-4-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,17)
InChIKeyAXWNHPFGEAZHSB-UHFFFAOYSA-N
XLogP-0.42
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 ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78957834) is N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is Cn1cnnc1CNC(=O)CNCC(F)(F)F.
What is the InChIKey of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is AXWNHPFGEAZHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O/c1-16-5-14-15-6(16)2-13-7(17)3-12-4-8(9,10)11/h5,12H,2-4H2,1H3,(H,13,17).
What are the key properties of N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 251.21 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78957834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).