1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one

C17H20F3N5O3 — CID 91822670

IUPAC1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCOCCn1c(C)cc(C)c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1=O
InChIInChI=1S/C17H20F3N5O3/c1-10-8-11(2)24(6-7-28-3)15(27)13(10)14(26)23-4-5-25-12(9-23)21-22-16(25)17(18,19)20/h8H,4-7,9H2,1-3H3
InChIKeyZVDBKILKXXUNEM-UHFFFAOYSA-N
MW399.37 g/mol
LogP1.38
Rot. Bonds4

About 1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one

1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (PubChem CID 91822670) has the molecular formula C17H20F3N5O3 and a molecular weight of 399.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
PubChem CID91822670
Molecular FormulaC17H20F3N5O3
Molecular Weight399.37 g/mol
Exact Mass399.15
IUPAC Name1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCOCCn1c(C)cc(C)c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1=O
InChIInChI=1S/C17H20F3N5O3/c1-10-8-11(2)24(6-7-28-3)15(27)13(10)14(26)23-4-5-25-12(9-23)21-22-16(25)17(18,19)20/h8H,4-7,9H2,1-3H3
InChIKeyZVDBKILKXXUNEM-UHFFFAOYSA-N
XLogP1.38
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one with MolForge

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Related Compounds

1-(3-methoxypropyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
CID 91956776
1-(3-methoxypropyl)-3-[8-methyl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
CID 91957007
4,6-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
CID 100021228
4,6-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
CID 100021232
4,6-dimethyl-1-((tetrahydrofuran-2-yl)methyl)-3-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2(1H)-one
CID 102564440
1-cyclopropyl-4-methyl-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-2(1H)-pyridinone
CID 172663054
4-methyl-1-[2-(4-morpholinyl)ethyl]-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-2(1H)-pyridinone
CID 172666273
4-methyl-1-(tetrahydro-2-furanylmethyl)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-2(1H)-pyridinone
CID 172670363
1,6-dimethyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one
CID 53588846
1-ethyl-N-{[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]methyl}-N,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 132417532
1-{3-[(5S)-3-(methoxymethyl)-5-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-3-oxopropyl}-4,6-dimethyl-2(1H)-pyrimidinone
CID 164691387
6-ethyl-3-{[(5S)-3-(methoxymethyl)-5-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-1,5-dimethyl-2(1H)-pyridinone
CID 164691749

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The IUPAC name of 1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (CID 91822670) is 1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is COCCn1c(C)cc(C)c(C(=O)N2CCn3c(nnc3C(F)(F)F)C2)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The InChIKey is ZVDBKILKXXUNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N5O3/c1-10-8-11(2)24(6-7-28-3)15(27)13(10)14(26)23-4-5-25-12(9-23)21-22-16(25)17(18,19)20/h8H,4-7,9H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one has a molecular weight of 399.37 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-4,6-dimethyl-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is sourced from PubChem (CID 91822670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).