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

C9H14F3N5O — CID 61105293

IUPAC2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H14F3N5O/c1-2-3-16(5-9(10,11)12)7(18)4-17-6-14-8(13)15-17/h6H,2-5H2,1H3,(H2,13,15)
InChIKeyXWOKWUDICKOEEO-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.66
Rot. Bonds5

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

2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61105293) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is 2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61105293
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC Name2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1
InChIInChI=1S/C9H14F3N5O/c1-2-3-16(5-9(10,11)12)7(18)4-17-6-14-8(13)15-17/h6H,2-5H2,1H3,(H2,13,15)
InChIKeyXWOKWUDICKOEEO-UHFFFAOYSA-N
XLogP0.66
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.66
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-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide (CID 61105293) is 2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide is CCCN(CC(F)(F)F)C(=O)Cn1cnc(N)n1.
What is the InChIKey of 2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XWOKWUDICKOEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c1-2-3-16(5-9(10,11)12)7(18)4-17-6-14-8(13)15-17/h6H,2-5H2,1H3,(H2,13,15).
What are the key properties of 2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-amino-1,2,4-triazol-1-yl)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 265.24 g/mol, XLogP of 0.66, 5 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-propyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61105293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).