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

C17H17FN6O2S — CID 86274732

IUPAC(4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1
InChIInChI=1S/C17H17FN6O2S/c1-10-19-16(27-22-10)15-21-20-14-13(6-9-25)23(7-8-24(14)15)17(26)11-2-4-12(18)5-3-11/h2-5,13,25H,6-9H2,1H3/t13-/m1/s1
InChIKeySZEYAOKHLPDWFZ-CYBMUJFWSA-N
MW388.43 g/mol
LogP1.82
Rot. Bonds4

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

(4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone (PubChem CID 86274732) has the molecular formula C17H17FN6O2S and a molecular weight of 388.43 g/mol. Its IUPAC name is (4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
PubChem CID86274732
Molecular FormulaC17H17FN6O2S
Molecular Weight388.43 g/mol
Exact Mass388.11
IUPAC Name(4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
SMILESCc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1
InChIInChI=1S/C17H17FN6O2S/c1-10-19-16(27-22-10)15-21-20-14-13(6-9-25)23(7-8-24(14)15)17(26)11-2-4-12(18)5-3-11/h2-5,13,25H,6-9H2,1H3/t13-/m1/s1
InChIKeySZEYAOKHLPDWFZ-CYBMUJFWSA-N
XLogP1.82
TPSA97.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-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 86274732) is (4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(F)cc2)[C@@H]3CCO)n1.
What is the InChIKey of (4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
The InChIKey is SZEYAOKHLPDWFZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17FN6O2S/c1-10-19-16(27-22-10)15-21-20-14-13(6-9-25)23(7-8-24(14)15)17(26)11-2-4-12(18)5-3-11/h2-5,13,25H,6-9H2,1H3/t13-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone?
(4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone has a molecular weight of 388.43 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(8R)-8-(2-hydroxyethyl)-3-(3-methyl-1,2,4-thiadiazol-5-yl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 86274732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).