2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

C16H12F3N5O3 — CID 55712251

IUPAC2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H12F3N5O3/c17-16(18,19)9-27-14-6-5-10(7-20-14)21-13(25)8-24-15(26)11-3-1-2-4-12(11)22-23-24/h1-7H,8-9H2,(H,21,25)
InChIKeyUDOCRWKMTJZXSN-UHFFFAOYSA-N
MW379.30 g/mol
LogP1.77
Rot. Bonds5

About 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (PubChem CID 55712251) has the molecular formula C16H12F3N5O3 and a molecular weight of 379.30 g/mol. Its IUPAC name is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
PubChem CID55712251
Molecular FormulaC16H12F3N5O3
Molecular Weight379.30 g/mol
Exact Mass379.09
IUPAC Name2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
SMILESO=C(Cn1nnc2ccccc2c1=O)Nc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C16H12F3N5O3/c17-16(18,19)9-27-14-6-5-10(7-20-14)21-13(25)8-24-15(26)11-3-1-2-4-12(11)22-23-24/h1-7H,8-9H2,(H,21,25)
InChIKeyUDOCRWKMTJZXSN-UHFFFAOYSA-N
XLogP1.77
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide with MolForge

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Related Compounds

2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 55474860
N-(4-tert-butylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7919313
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-pyridin-2-ylacetamide
CID 4904114
N-(9,10-dioxoanthracen-2-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 38934566
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 7529267
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide
CID 55712280
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26465780
N-hydroxy-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 99984183
N-(3-bromophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 2695518
N-(4-butan-2-ylphenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 78766557

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The IUPAC name of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide (CID 55712251) is 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is O=C(Cn1nnc2ccccc2c1=O)Nc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
The InChIKey is UDOCRWKMTJZXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5O3/c17-16(18,19)9-27-14-6-5-10(7-20-14)21-13(25)8-24-15(26)11-3-1-2-4-12(11)22-23-24/h1-7H,8-9H2,(H,21,25).
What are the key properties of 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide?
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide has a molecular weight of 379.30 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]acetamide is sourced from PubChem (CID 55712251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).