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

C8H12F3N5O — CID 113314088

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C8H12F3N5O/c1-15(5-8(9,10)11)7(17)4-16-3-6(2-12)13-14-16/h3H,2,4-5,12H2,1H3
InChIKeyHTYQXCRKBGDVJM-UHFFFAOYSA-N
MW251.21 g/mol
LogP-0.24
Rot. Bonds4

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

2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 113314088) has the molecular formula C8H12F3N5O and a molecular weight of 251.21 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID113314088
Molecular FormulaC8H12F3N5O
Molecular Weight251.21 g/mol
Exact Mass251.10
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(F)(F)F)C(=O)Cn1cc(CN)nn1
InChIInChI=1S/C8H12F3N5O/c1-15(5-8(9,10)11)7(17)4-16-3-6(2-12)13-14-16/h3H,2,4-5,12H2,1H3
InChIKeyHTYQXCRKBGDVJM-UHFFFAOYSA-N
XLogP-0.24
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 113314088) is 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(F)(F)F)C(=O)Cn1cc(CN)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is HTYQXCRKBGDVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N5O/c1-15(5-8(9,10)11)7(17)4-16-3-6(2-12)13-14-16/h3H,2,4-5,12H2,1H3.
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 251.21 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 113314088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).