[(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone

C15H14FN7OS — CID 162686540

IUPAC[(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
SMILESC[C@@H]1c2nnc(-c3nc(N)ns3)n2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FN7OS/c1-8-11-19-20-12(13-18-15(17)21-25-13)23(11)7-6-22(8)14(24)9-2-4-10(16)5-3-9/h2-5,8H,6-7H2,1H3,(H2,17,21)/t8-/m1/s1
InChIKeyPULWDEADVROYOY-MRVPVSSYSA-N
MW359.39 g/mol
LogP1.73
Rot. Bonds2

About [(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone

[(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone (PubChem CID 162686540) has the molecular formula C15H14FN7OS and a molecular weight of 359.39 g/mol. Its IUPAC name is [(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
PubChem CID162686540
Molecular FormulaC15H14FN7OS
Molecular Weight359.39 g/mol
Exact Mass359.10
IUPAC Name[(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
SMILESC[C@@H]1c2nnc(-c3nc(N)ns3)n2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14FN7OS/c1-8-11-19-20-12(13-18-15(17)21-25-13)23(11)7-6-22(8)14(24)9-2-4-10(16)5-3-9/h2-5,8H,6-7H2,1H3,(H2,17,21)/t8-/m1/s1
InChIKeyPULWDEADVROYOY-MRVPVSSYSA-N
XLogP1.73
TPSA102.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[(8R)-3-[3-(azetidin-1-yl)-1,2,4-thiadiazol-5-yl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
CID 170190975
(4-fluorophenyl)-[(8R)-8-methyl-3-[3-(oxan-4-yl)-1,2,4-thiadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 155212006
[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 86275208
(4-fluorophenyl)-[(8S)-8-methyl-3-(2-phenyl-1,3-thiazol-4-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67451093
[(8R)-8-methyl-3-[3-(trideuteriomethyl)-1,2,4-thiadiazol-5-yl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(2,3,5,6-tetradeuterio-4-fluorophenyl)methanone
CID 162686564
[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-thiophen-2-ylphenyl)methanone
CID 71549769
1H-indol-5-yl-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 166067706
(4-fluorophenyl)-[(8R)-8-methyl-3-quinolin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67452275
1-benzothiophen-6-yl-[(8R)-8-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 177370981
(4-fluorophenyl)-[(8R)-3-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 177370987
[3-[2-(2,4-dichlorophenyl)-1,3-thiazol-4-yl]-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone
CID 67451720
(4-fluorophenyl)-[(8R)-8-methyl-3-(5-methylsulfanyl-1,3-oxazol-2-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 175814076

Frequently Asked Questions

What is the IUPAC name of [(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone (CID 162686540) is [(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone is C[C@@H]1c2nnc(-c3nc(N)ns3)n2CCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of [(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone?
The InChIKey is PULWDEADVROYOY-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H14FN7OS/c1-8-11-19-20-12(13-18-15(17)21-25-13)23(11)7-6-22(8)14(24)9-2-4-10(16)5-3-9/h2-5,8H,6-7H2,1H3,(H2,17,21)/t8-/m1/s1.
What are the key properties of [(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone?
[(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone has a molecular weight of 359.39 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(8R)-3-(3-amino-1,2,4-thiadiazol-5-yl)-8-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 162686540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).