(3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one

C13H20N4O2 — CID 95351866

IUPAC(3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one
SMILESCC(C)c1nnc2n1CCN([C@@H]1C[C@H](C)OC1=O)C2
InChIInChI=1S/C13H20N4O2/c1-8(2)12-15-14-11-7-16(4-5-17(11)12)10-6-9(3)19-13(10)18/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyRUWZXULLORDIFQ-VHSXEESVSA-N
MW264.33 g/mol
LogP0.92
Rot. Bonds2

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

(3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one (PubChem CID 95351866) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one.

Molecular Properties

Compound Name(3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one
PubChem CID95351866
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one
SMILESCC(C)c1nnc2n1CCN([C@@H]1C[C@H](C)OC1=O)C2
InChIInChI=1S/C13H20N4O2/c1-8(2)12-15-14-11-7-16(4-5-17(11)12)10-6-9(3)19-13(10)18/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1
InChIKeyRUWZXULLORDIFQ-VHSXEESVSA-N
XLogP0.92
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one?
The IUPAC name of (3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one (CID 95351866) is (3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one.
What is the SMILES notation for (3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one?
The canonical SMILES for (3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one is CC(C)c1nnc2n1CCN([C@@H]1C[C@H](C)OC1=O)C2.
What is the InChIKey of (3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one?
The InChIKey is RUWZXULLORDIFQ-VHSXEESVSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-8(2)12-15-14-11-7-16(4-5-17(11)12)10-6-9(3)19-13(10)18/h8-10H,4-7H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one?
(3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-5-methyl-3-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)oxolan-2-one is sourced from PubChem (CID 95351866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).