5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide

C17H19F3N6O3 — CID 145225064

IUPAC5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN1C(=O)CCOc2ccccc21.NC(=O)c1nc2n(n1)CCNC2C(F)(F)F
InChIInChI=1S/C10H11NO2.C7H8F3N5O/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;8-7(9,10)3-6-13-5(4(11)16)14-15(6)2-1-12-3/h2-5H,6-7H2,1H3;3,12H,1-2H2,(H2,11,16)
InChIKeyNQFWKYGHFRRONK-UHFFFAOYSA-N
MW412.37 g/mol
LogP1.02
Rot. Bonds1

About 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide

5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 145225064) has the molecular formula C17H19F3N6O3 and a molecular weight of 412.37 g/mol. Its IUPAC name is 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID145225064
Molecular FormulaC17H19F3N6O3
Molecular Weight412.37 g/mol
Exact Mass412.15
IUPAC Name5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide
SMILESCN1C(=O)CCOc2ccccc21.NC(=O)c1nc2n(n1)CCNC2C(F)(F)F
InChIInChI=1S/C10H11NO2.C7H8F3N5O/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;8-7(9,10)3-6-13-5(4(11)16)14-15(6)2-1-12-3/h2-5H,6-7H2,1H3;3,12H,1-2H2,(H2,11,16)
InChIKeyNQFWKYGHFRRONK-UHFFFAOYSA-N
XLogP1.02
TPSA115.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide with MolForge

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Related Compounds

5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 145407982
tert-butyl carbamate;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;molecular hydrogen
CID 144684381
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;1-(7-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)propan-1-one
CID 142375280
5-chloro-1H-pyrazolo[4,3-b]pyridine-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 145225708
4,5-dihydro-[1,2,4]triazolo[5,1-d][1,5]benzoxazepine-2-carboxamide
CID 67050641
5-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(trifluoromethyl)-7,8-dihydro-6H-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 140764722
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;2-methylpropane;4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 145225301
5-[(4-chlorophenyl)methyl]-1,2-oxazole-3-carboxamide;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 144684504
1,1-dimethyl-3H-furo[3,4-c]pyridine-6-carboxamide;ethane;5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 145225456
5-benzyl-1H-1,2,4-triazole-3-carboxamide;7-[(Z)-2-chloro-3-hydroxy-3-methylbut-1-enyl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 153360138
5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepine-6-carboxylic acid
CID 83822514
4-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(trifluoromethyl)-4,5,6,7-tetrahydrotriazolo[1,5-a]pyridine-3-carboxamide
CID 140764640

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide (CID 145225064) is 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide is CN1C(=O)CCOc2ccccc21.NC(=O)c1nc2n(n1)CCNC2C(F)(F)F.
What is the InChIKey of 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is NQFWKYGHFRRONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2.C7H8F3N5O/c1-11-8-4-2-3-5-9(8)13-7-6-10(11)12;8-7(9,10)3-6-13-5(4(11)16)14-15(6)2-1-12-3/h2-5H,6-7H2,1H3;3,12H,1-2H2,(H2,11,16).
What are the key properties of 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide?
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 412.37 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;8-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 145225064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).