2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

C17H20N6O — CID 95296429

IUPAC2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc([C@H](C)N3CCn4c(C)nnc4C3)o2)cc1
InChIInChI=1S/C17H20N6O/c1-11-4-6-14(7-5-11)17-21-20-16(24-17)12(2)22-8-9-23-13(3)18-19-15(23)10-22/h4-7,12H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyHSQIAINCWMPQKL-LBPRGKRZSA-N
MW324.39 g/mol
LogP2.52
Rot. Bonds3

About 2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole

2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (PubChem CID 95296429) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
PubChem CID95296429
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc([C@H](C)N3CCn4c(C)nnc4C3)o2)cc1
InChIInChI=1S/C17H20N6O/c1-11-4-6-14(7-5-11)17-21-20-16(24-17)12(2)22-8-9-23-13(3)18-19-15(23)10-22/h4-7,12H,8-10H2,1-3H3/t12-/m0/s1
InChIKeyHSQIAINCWMPQKL-LBPRGKRZSA-N
XLogP2.52
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole (CID 95296429) is 2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is Cc1ccc(-c2nnc([C@H](C)N3CCn4c(C)nnc4C3)o2)cc1.
What is the InChIKey of 2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
The InChIKey is HSQIAINCWMPQKL-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N6O/c1-11-4-6-14(7-5-11)17-21-20-16(24-17)12(2)22-8-9-23-13(3)18-19-15(23)10-22/h4-7,12H,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole?
2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole has a molecular weight of 324.39 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 95296429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).