N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide

C17H15F3N6O2 — CID 140563930

IUPACN-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide
SMILESCNC(=O)c1ccc2c(c1)N1CC(c3ncnn3CC(F)(F)F)=NC1=CCO2
InChIInChI=1S/C17H15F3N6O2/c1-21-16(27)10-2-3-13-12(6-10)25-7-11(24-14(25)4-5-28-13)15-22-9-23-26(15)8-17(18,19)20/h2-4,6,9H,5,7-8H2,1H3,(H,21,27)
InChIKeyQXSLTZPONPQTMH-UHFFFAOYSA-N
MW392.34 g/mol
LogP1.74
Rot. Bonds3

About N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide

N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide (PubChem CID 140563930) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide.

Molecular Properties

Compound NameN-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide
PubChem CID140563930
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC NameN-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide
SMILESCNC(=O)c1ccc2c(c1)N1CC(c3ncnn3CC(F)(F)F)=NC1=CCO2
InChIInChI=1S/C17H15F3N6O2/c1-21-16(27)10-2-3-13-12(6-10)25-7-11(24-14(25)4-5-28-13)15-22-9-23-26(15)8-17(18,19)20/h2-4,6,9H,5,7-8H2,1H3,(H,21,27)
InChIKeyQXSLTZPONPQTMH-UHFFFAOYSA-N
XLogP1.74
TPSA84.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide with MolForge

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Related Compounds

N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-4,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide
CID 123958211
morpholin-4-yl-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-10-yl]methanone
CID 58205035
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 91938263
N-methyl-2H-1,4-benzoxazine-7-carboxamide
CID 91549866
4-amino-N-methyl-1-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 70114528
2-(2,2,2-trifluoroethyl)-1,2,4-triazole-3-carboxylic acid
CID 157031199
2-(1,1-difluoroethyl)-N-methylpyridine-4-carboxamide
CID 177051325
2'-deuterio-N-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-6-carboxamide
CID 175740085
4-hydroxy-N-methyl-3-(2,2,2-trifluoroethoxy)benzamide
CID 138753377
3-fluoro-N-methyl-4-(2,2,2-trifluoroethylamino)benzamide
CID 59156732
N,2-dimethyl-1,3,4,5-tetrahydro-2-benzazepine-8-carboxamide
CID 58147184
(2R)-2-methyl-3-[2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl]propanamide
CID 58204390

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide?
The IUPAC name of N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide (CID 140563930) is N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide.
What is the SMILES notation for N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide?
The canonical SMILES for N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide is CNC(=O)c1ccc2c(c1)N1CC(c3ncnn3CC(F)(F)F)=NC1=CCO2.
What is the InChIKey of N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide?
The InChIKey is QXSLTZPONPQTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c1-21-16(27)10-2-3-13-12(6-10)25-7-11(24-14(25)4-5-28-13)15-22-9-23-26(15)8-17(18,19)20/h2-4,6,9H,5,7-8H2,1H3,(H,21,27).
What are the key properties of N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide?
N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide has a molecular weight of 392.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]-1,5-dihydroimidazo[2,1-d][1,5]benzoxazepine-9-carboxamide is sourced from PubChem (CID 140563930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).