2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

C18H15F3N4O3 — CID 170699064

IUPAC2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1nnc2ccccn2c1=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4O3/c1-11(12-5-7-13(8-6-12)28-18(19,20)21)22-16(26)10-14-17(27)25-9-3-2-4-15(25)24-23-14/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1
InChIKeyORLPVYFLJXLMIR-NSHDSACASA-N
MW392.34 g/mol
LogP2.41
Rot. Bonds5

About 2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide

2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (PubChem CID 170699064) has the molecular formula C18H15F3N4O3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
PubChem CID170699064
Molecular FormulaC18H15F3N4O3
Molecular Weight392.34 g/mol
Exact Mass392.11
IUPAC Name2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
SMILESC[C@H](NC(=O)Cc1nnc2ccccn2c1=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H15F3N4O3/c1-11(12-5-7-13(8-6-12)28-18(19,20)21)22-16(26)10-14-17(27)25-9-3-2-4-15(25)24-23-14/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1
InChIKeyORLPVYFLJXLMIR-NSHDSACASA-N
XLogP2.41
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 95241388
2-(4-oxoquinazolin-3-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46423728
4-(1,3-dioxoisoindol-2-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butanamide
CID 46413663
2-(pyridin-2-ylmethylsulfanyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55825302
2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-[(1S)-1-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 153065968
2-(2-chloro-6-fluorophenyl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 55611461
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 53203526
N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55741373
2-(4-methoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 42957035
2-(4-ethoxyphenoxy)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 46547803
N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]prop-2-enamide
CID 166408095
N-propan-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]ethylamino]acetamide
CID 43567720

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide (CID 170699064) is 2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is C[C@H](NC(=O)Cc1nnc2ccccn2c1=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
The InChIKey is ORLPVYFLJXLMIR-NSHDSACASA-N. The full InChI is InChI=1S/C18H15F3N4O3/c1-11(12-5-7-13(8-6-12)28-18(19,20)21)22-16(26)10-14-17(27)25-9-3-2-4-15(25)24-23-14/h2-9,11H,10H2,1H3,(H,22,26)/t11-/m0/s1.
What are the key properties of 2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide?
2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide has a molecular weight of 392.34 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 170699064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).