(5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

C20H22N6O2S — CID 165419847

IUPAC(5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCN1Cc2nnc(-c3csc(N4CCOCC4)n3)n2[C@@H](Cc2ccccc2)C1=O
InChIInChI=1S/C20H22N6O2S/c1-24-12-17-22-23-18(15-13-29-20(21-15)25-7-9-28-10-8-25)26(17)16(19(24)27)11-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3/t16-/m0/s1
InChIKeyJPMAMQAQVXEDTE-INIZCTEOSA-N
MW410.50 g/mol
LogP1.99
Rot. Bonds4

About (5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

(5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 165419847) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is (5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID165419847
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name(5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCN1Cc2nnc(-c3csc(N4CCOCC4)n3)n2[C@@H](Cc2ccccc2)C1=O
InChIInChI=1S/C20H22N6O2S/c1-24-12-17-22-23-18(15-13-29-20(21-15)25-7-9-28-10-8-25)26(17)16(19(24)27)11-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3/t16-/m0/s1
InChIKeyJPMAMQAQVXEDTE-INIZCTEOSA-N
XLogP1.99
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one with MolForge

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Related Compounds

(5R)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 164690921
(5S)-5-benzyl-3-cyclopropyl-7-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163318436
(5S)-5-benzyl-7-methyl-3-pyridin-3-yl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 164697314
(5S)-5-benzyl-3-(hydroxymethyl)-7-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163312556
5-ethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine
CID 138379964
(5S)-3-(2-anilinoethyl)-5-benzyl-7-methyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
CID 163308860
4-[4-(2,4,5-triazatetracyclo[7.3.1.17,11.02,6]tetradeca-3,5-dien-3-yl)-1,3-thiazol-2-yl]morpholine
CID 138808844
2-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]isoindole-1,3-dione
CID 168518477
4-[2,5-dimethyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)pyrrol-1-yl]-1,5-dimethyl-2-phenylpyrazol-3-one
CID 42998335
4-(4-spiro[5,7-dihydropyrrolo[2,1-c][1,2,4]triazole-6,1'-cycloheptane]-3-yl-1,3-thiazol-2-yl)morpholine
CID 139599301
4-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 72720133
4-[4-(3-methyl-1-benzofuran-2-yl)-1,3-thiazol-2-yl]morpholine
CID 32951384

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 165419847) is (5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is CN1Cc2nnc(-c3csc(N4CCOCC4)n3)n2[C@@H](Cc2ccccc2)C1=O.
What is the InChIKey of (5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is JPMAMQAQVXEDTE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-24-12-17-22-23-18(15-13-29-20(21-15)25-7-9-28-10-8-25)26(17)16(19(24)27)11-14-5-3-2-4-6-14/h2-6,13,16H,7-12H2,1H3/t16-/m0/s1.
What are the key properties of (5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 410.50 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-7-methyl-3-(2-morpholin-4-yl-1,3-thiazol-4-yl)-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 165419847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).