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

C7H10F3N5O — CID 62054131

IUPAC2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCc1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C7H10F3N5O/c8-7(9,10)4-12-6(16)3-15-2-5(1-11)13-14-15/h2H,1,3-4,11H2,(H,12,16)
InChIKeyZGLDFWVWCSFCJC-UHFFFAOYSA-N
MW237.18 g/mol
LogP-0.58
Rot. Bonds4

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

2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 62054131) has the molecular formula C7H10F3N5O and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID62054131
Molecular FormulaC7H10F3N5O
Molecular Weight237.18 g/mol
Exact Mass237.08
IUPAC Name2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNCc1cn(CC(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C7H10F3N5O/c8-7(9,10)4-12-6(16)3-15-2-5(1-11)13-14-15/h2H,1,3-4,11H2,(H,12,16)
InChIKeyZGLDFWVWCSFCJC-UHFFFAOYSA-N
XLogP-0.58
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 62054131) is 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is NCc1cn(CC(=O)NCC(F)(F)F)nn1.
What is the InChIKey of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is ZGLDFWVWCSFCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N5O/c8-7(9,10)4-12-6(16)3-15-2-5(1-11)13-14-15/h2H,1,3-4,11H2,(H,12,16).
What are the key properties of 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 237.18 g/mol, XLogP of -0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)triazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 62054131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).