2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide

C10H10F3N5O — CID 121144997

IUPAC2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
SMILESO=C(NCCCc1cnc2ncnn2c1)C(F)(F)F
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)8(19)14-3-1-2-7-4-15-9-16-6-17-18(9)5-7/h4-6H,1-3H2,(H,14,19)
InChIKeyDUXXDHFIPIRRBT-UHFFFAOYSA-N
MW273.22 g/mol
LogP0.74
Rot. Bonds4

About 2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide

2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide (PubChem CID 121144997) has the molecular formula C10H10F3N5O and a molecular weight of 273.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
PubChem CID121144997
Molecular FormulaC10H10F3N5O
Molecular Weight273.22 g/mol
Exact Mass273.08
IUPAC Name2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide
SMILESO=C(NCCCc1cnc2ncnn2c1)C(F)(F)F
InChIInChI=1S/C10H10F3N5O/c11-10(12,13)8(19)14-3-1-2-7-4-15-9-16-6-17-18(9)5-7/h4-6H,1-3H2,(H,14,19)
InChIKeyDUXXDHFIPIRRBT-UHFFFAOYSA-N
XLogP0.74
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.22
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide (CID 121144997) is 2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide is O=C(NCCCc1cnc2ncnn2c1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
The InChIKey is DUXXDHFIPIRRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O/c11-10(12,13)8(19)14-3-1-2-7-4-15-9-16-6-17-18(9)5-7/h4-6H,1-3H2,(H,14,19).
What are the key properties of 2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide?
2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide has a molecular weight of 273.22 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propyl]acetamide is sourced from PubChem (CID 121144997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).