2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

C12H9F3N6O — CID 110455404

IUPAC2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCc1nccn1-c1cccc2nc(NC(=O)C(F)(F)F)nn12
InChIInChI=1S/C12H9F3N6O/c1-7-16-5-6-20(7)9-4-2-3-8-17-11(19-21(8)9)18-10(22)12(13,14)15/h2-6H,1H3,(H,18,19,22)
InChIKeyUMSVIYYLAAYCHR-UHFFFAOYSA-N
MW310.24 g/mol
LogP1.72
Rot. Bonds2

About 2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide

2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (PubChem CID 110455404) has the molecular formula C12H9F3N6O and a molecular weight of 310.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
PubChem CID110455404
Molecular FormulaC12H9F3N6O
Molecular Weight310.24 g/mol
Exact Mass310.08
IUPAC Name2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide
SMILESCc1nccn1-c1cccc2nc(NC(=O)C(F)(F)F)nn12
InChIInChI=1S/C12H9F3N6O/c1-7-16-5-6-20(7)9-4-2-3-8-17-11(19-21(8)9)18-10(22)12(13,14)15/h2-6H,1H3,(H,18,19,22)
InChIKeyUMSVIYYLAAYCHR-UHFFFAOYSA-N
XLogP1.72
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide (CID 110455404) is 2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is Cc1nccn1-c1cccc2nc(NC(=O)C(F)(F)F)nn12.
What is the InChIKey of 2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
The InChIKey is UMSVIYYLAAYCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N6O/c1-7-16-5-6-20(7)9-4-2-3-8-17-11(19-21(8)9)18-10(22)12(13,14)15/h2-6H,1H3,(H,18,19,22).
What are the key properties of 2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide?
2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide has a molecular weight of 310.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[5-(2-methylimidazol-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 110455404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).