2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

C15H14F3N7O — CID 51122329

IUPAC2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(Cc1nc2ncccn2n1)NCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H14F3N7O/c16-15(17,18)10-2-3-11(22-9-10)19-5-6-20-13(26)8-12-23-14-21-4-1-7-25(14)24-12/h1-4,7,9H,5-6,8H2,(H,19,22)(H,20,26)
InChIKeyIFUQGPAZPTXFEH-UHFFFAOYSA-N
MW365.32 g/mol
LogP1.31
Rot. Bonds6

About 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide

2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (PubChem CID 51122329) has the molecular formula C15H14F3N7O and a molecular weight of 365.32 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
PubChem CID51122329
Molecular FormulaC15H14F3N7O
Molecular Weight365.32 g/mol
Exact Mass365.12
IUPAC Name2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
SMILESO=C(Cc1nc2ncccn2n1)NCCNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H14F3N7O/c16-15(17,18)10-2-3-11(22-9-10)19-5-6-20-13(26)8-12-23-14-21-4-1-7-25(14)24-12/h1-4,7,9H,5-6,8H2,(H,19,22)(H,20,26)
InChIKeyIFUQGPAZPTXFEH-UHFFFAOYSA-N
XLogP1.31
TPSA97.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3-bromo-4-fluorophenyl)ethyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 47064150
2-(2-phenyl-1,3-oxazol-4-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55617876
4-fluoro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423305
1-quinolin-8-yl-3-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]urea
CID 48768630
2-(2-methyl-1H-indol-3-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423302
2-(2-chlorophenoxy)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 46423192
4-methyl-2-phenyl-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1,3-thiazole-5-carboxamide
CID 55617594
3-nitro-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46423219
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide
CID 55617905
N-[1-(4-fluorophenyl)cyclopentyl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 166188146
4-butoxy-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzamide
CID 46399393
N-(2-imidazol-1-ylethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 60632035

Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The IUPAC name of 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide (CID 51122329) is 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The canonical SMILES for 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is O=C(Cc1nc2ncccn2n1)NCCNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
The InChIKey is IFUQGPAZPTXFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N7O/c16-15(17,18)10-2-3-11(22-9-10)19-5-6-20-13(26)8-12-23-14-21-4-1-7-25(14)24-12/h1-4,7,9H,5-6,8H2,(H,19,22)(H,20,26).
What are the key properties of 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide?
2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide has a molecular weight of 365.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide is sourced from PubChem (CID 51122329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).