[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C18H19N5O2 — CID 164690609

IUPAC[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2Cc3nnc(Cc4ccccc4)n3[C@@H](C)C2)no1
InChIInChI=1S/C18H19N5O2/c1-12-10-22(18(24)15-8-13(2)25-21-15)11-17-20-19-16(23(12)17)9-14-6-4-3-5-7-14/h3-8,12H,9-11H2,1-2H3/t12-/m0/s1
InChIKeyVTVYDYLPJUIMOF-LBPRGKRZSA-N
MW337.38 g/mol
LogP2.38
Rot. Bonds3

About [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 164690609) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID164690609
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2Cc3nnc(Cc4ccccc4)n3[C@@H](C)C2)no1
InChIInChI=1S/C18H19N5O2/c1-12-10-22(18(24)15-8-13(2)25-21-15)11-17-20-19-16(23(12)17)9-14-6-4-3-5-7-14/h3-8,12H,9-11H2,1-2H3/t12-/m0/s1
InChIKeyVTVYDYLPJUIMOF-LBPRGKRZSA-N
XLogP2.38
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1,3-dimethylindol-2-yl)methanone
CID 164695961
[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 164699065
[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-fluoro-3-pyridinyl)methanone
CID 164697566
(6-amino-3-pyridinyl)-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164690731
1-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 164696300
[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1-methylpyrazolo[4,5-b]pyridin-6-yl)methanone
CID 164691777
(4-hydroxy-3,5-dimethylphenyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 164697869
(6-amino-2-pyridinyl)-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 165422600
2-(3-methyl-1,2-oxazol-5-yl)-1-[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanone
CID 164691972
1-[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-3-pyrazin-2-ylpropan-1-one
CID 164690611
(2-methyl-1,3-oxazol-4-yl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172672273
[(5S)-5-methyl-3-(2-phenylethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
CID 164695860

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 164690609) is [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2Cc3nnc(Cc4ccccc4)n3[C@@H](C)C2)no1.
What is the InChIKey of [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is VTVYDYLPJUIMOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-10-22(18(24)15-8-13(2)25-21-15)11-17-20-19-16(23(12)17)9-14-6-4-3-5-7-14/h3-8,12H,9-11H2,1-2H3/t12-/m0/s1.
What are the key properties of [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-3-benzyl-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 164690609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).