(9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

C15H20N6O2S — CID 95199390

IUPAC(9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(Cc3ccc(Sc4ncn[nH]4)o3)C[C@@H]2C1=O
InChIInChI=1S/C15H20N6O2S/c1-19-4-6-21-7-5-20(9-12(21)14(19)22)8-11-2-3-13(23-11)24-15-16-10-17-18-15/h2-3,10,12H,4-9H2,1H3,(H,16,17,18)/t12-/m1/s1
InChIKeyUVIVEBIJUXJVKS-GFCCVEGCSA-N
MW348.43 g/mol
LogP0.51
Rot. Bonds4

About (9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one

(9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (PubChem CID 95199390) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is (9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.

Molecular Properties

Compound Name(9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
PubChem CID95199390
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name(9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
SMILESCN1CCN2CCN(Cc3ccc(Sc4ncn[nH]4)o3)C[C@@H]2C1=O
InChIInChI=1S/C15H20N6O2S/c1-19-4-6-21-7-5-20(9-12(21)14(19)22)8-11-2-3-13(23-11)24-15-16-10-17-18-15/h2-3,10,12H,4-9H2,1H3,(H,16,17,18)/t12-/m1/s1
InChIKeyUVIVEBIJUXJVKS-GFCCVEGCSA-N
XLogP0.51
TPSA81.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The IUPAC name of (9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one (CID 95199390) is (9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one.
What is the SMILES notation for (9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The canonical SMILES for (9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is CN1CCN2CCN(Cc3ccc(Sc4ncn[nH]4)o3)C[C@@H]2C1=O.
What is the InChIKey of (9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
The InChIKey is UVIVEBIJUXJVKS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-19-4-6-21-7-5-20(9-12(21)14(19)22)8-11-2-3-13(23-11)24-15-16-10-17-18-15/h2-3,10,12H,4-9H2,1H3,(H,16,17,18)/t12-/m1/s1.
What are the key properties of (9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one?
(9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one has a molecular weight of 348.43 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (9aR)-8-methyl-2-[[5-(1H-1,2,4-triazol-5-ylsulfanyl)furan-2-yl]methyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one is sourced from PubChem (CID 95199390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).