2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3N5O — CID 61110227

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H18F3N5O/c1-3-8(4-2)19(6-11(12,13)14)9(20)5-18-7-16-10(15)17-18/h7-8H,3-6H2,1-2H3,(H2,15,17)
InChIKeyYBGNKBKNBIXJHD-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.44
Rot. Bonds6

About 2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide

2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61110227) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61110227
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C11H18F3N5O/c1-3-8(4-2)19(6-11(12,13)14)9(20)5-18-7-16-10(15)17-18/h7-8H,3-6H2,1-2H3,(H2,15,17)
InChIKeyYBGNKBKNBIXJHD-UHFFFAOYSA-N
XLogP1.44
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 61110227) is 2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide is CCC(CC)N(CC(F)(F)F)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YBGNKBKNBIXJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-3-8(4-2)19(6-11(12,13)14)9(20)5-18-7-16-10(15)17-18/h7-8H,3-6H2,1-2H3,(H2,15,17).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 293.29 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1,2,4-triazol-1-yl)-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61110227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).