3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C15H23N5O3 — CID 165427027

IUPAC3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1nnc2n1[C@@H](CC(C)C)CN(C(=O)CN1CCOC1=O)C2
InChIInChI=1S/C15H23N5O3/c1-10(2)6-12-7-19(8-13-17-16-11(3)20(12)13)14(21)9-18-4-5-23-15(18)22/h10,12H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyIUIDYZDXGVJNNK-LBPRGKRZSA-N
MW321.38 g/mol
LogP0.97
Rot. Bonds4

About 3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 165427027) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID165427027
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCc1nnc2n1[C@@H](CC(C)C)CN(C(=O)CN1CCOC1=O)C2
InChIInChI=1S/C15H23N5O3/c1-10(2)6-12-7-19(8-13-17-16-11(3)20(12)13)14(21)9-18-4-5-23-15(18)22/h10,12H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyIUIDYZDXGVJNNK-LBPRGKRZSA-N
XLogP0.97
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 165427027) is 3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is Cc1nnc2n1[C@@H](CC(C)C)CN(C(=O)CN1CCOC1=O)C2.
What is the InChIKey of 3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is IUIDYZDXGVJNNK-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-10(2)6-12-7-19(8-13-17-16-11(3)20(12)13)14(21)9-18-4-5-23-15(18)22/h10,12H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of 3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 321.38 g/mol, XLogP of 0.97, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5S)-3-methyl-5-(2-methylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 165427027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).