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

C19H23F3N6O3 — CID 172666273

IUPAC4-methyl-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C19H23F3N6O3/c1-13-2-3-26(5-4-25-8-10-31-11-9-25)16(29)15(13)17(30)27-6-7-28-14(12-27)23-24-18(28)19(20,21)22/h2-3H,4-12H2,1H3
InChIKeyHVJXXDWZKGVPNA-UHFFFAOYSA-N
MW440.43 g/mol
LogP0.76
Rot. Bonds4

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

4-methyl-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (PubChem CID 172666273) has the molecular formula C19H23F3N6O3 and a molecular weight of 440.43 g/mol. Its IUPAC name is 4-methyl-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name4-methyl-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
PubChem CID172666273
Molecular FormulaC19H23F3N6O3
Molecular Weight440.43 g/mol
Exact Mass440.18
IUPAC Name4-methyl-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one
SMILESCc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C19H23F3N6O3/c1-13-2-3-26(5-4-25-8-10-31-11-9-25)16(29)15(13)17(30)27-6-7-28-14(12-27)23-24-18(28)19(20,21)22/h2-3H,4-12H2,1H3
InChIKeyHVJXXDWZKGVPNA-UHFFFAOYSA-N
XLogP0.76
TPSA85.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-methyl-1-(2-morpholin-4-ylethyl)-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-(2-methoxyethyl)-4,6-dimethyl-3-(3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2(1H)-one
CID 91822670
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
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-(3-piperidinylmethyl)-3-{[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-2(1H)-pyridinone hydrochloride
CID 172663694
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
4-methyl-1-(piperidin-3-ylmethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one;hydrochloride
CID 172909967
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
3-{[(5S)-3-(methoxymethyl)-5-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one
CID 164695687
N,4-dimethyl-1-[2-(4-morpholinyl)ethyl]-2-oxo-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-1,2-dihydro-3-pyridinecarboxamide
CID 172656855
3-{[(5S)-3-(methoxymethyl)-5-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]carbonyl}-4-methyl-1-(4-piperidinyl)-2(1H)-pyridinone dihydrochloride
CID 172669522
3-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one;dihydrochloride
CID 172910551

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The IUPAC name of 4-methyl-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one (CID 172666273) is 4-methyl-1-(2-morpholin-4-ylethyl)-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 4-methyl-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The canonical SMILES for 4-methyl-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one is Cc1ccn(CCN2CCOCC2)c(=O)c1C(=O)N1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of 4-methyl-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
The InChIKey is HVJXXDWZKGVPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O3/c1-13-2-3-26(5-4-25-8-10-31-11-9-25)16(29)15(13)17(30)27-6-7-28-14(12-27)23-24-18(28)19(20,21)22/h2-3H,4-12H2,1H3.
What are the key properties of 4-methyl-1-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl]pyridin-2-one?
4-methyl-1-(2-morpholin-4-ylethyl)-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 440.43 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-morpholin-4-ylethyl)-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 172666273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).