2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione

C16H25N3O6 — CID 102251759

IUPAC2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione
SMILESCc1nn([C@@H]2O[C@H](COC(C)(C)C)[C@H]3OC(C)(C)O[C@H]32)c(=O)[nH]c1=O
InChIInChI=1S/C16H25N3O6/c1-8-12(20)17-14(21)19(18-8)13-11-10(24-16(5,6)25-11)9(23-13)7-22-15(2,3)4/h9-11,13H,7H2,1-6H3,(H,17,20,21)/t9-,10-,11-,13-/m1/s1
InChIKeyGIEWUSMYTHRINN-PRULPYPASA-N
MW355.39 g/mol
LogP0.47
Rot. Bonds3

About 2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione

2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione (PubChem CID 102251759) has the molecular formula C16H25N3O6 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione
PubChem CID102251759
Molecular FormulaC16H25N3O6
Molecular Weight355.39 g/mol
Exact Mass355.17
IUPAC Name2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione
SMILESCc1nn([C@@H]2O[C@H](COC(C)(C)C)[C@H]3OC(C)(C)O[C@H]32)c(=O)[nH]c1=O
InChIInChI=1S/C16H25N3O6/c1-8-12(20)17-14(21)19(18-8)13-11-10(24-16(5,6)25-11)9(23-13)7-22-15(2,3)4/h9-11,13H,7H2,1-6H3,(H,17,20,21)/t9-,10-,11-,13-/m1/s1
InChIKeyGIEWUSMYTHRINN-PRULPYPASA-N
XLogP0.47
TPSA104.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione (CID 102251759) is 2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione is Cc1nn([C@@H]2O[C@H](COC(C)(C)C)[C@H]3OC(C)(C)O[C@H]32)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione?
The InChIKey is GIEWUSMYTHRINN-PRULPYPASA-N. The full InChI is InChI=1S/C16H25N3O6/c1-8-12(20)17-14(21)19(18-8)13-11-10(24-16(5,6)25-11)9(23-13)7-22-15(2,3)4/h9-11,13H,7H2,1-6H3,(H,17,20,21)/t9-,10-,11-,13-/m1/s1.
What are the key properties of 2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione?
2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione has a molecular weight of 355.39 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[(2-methylpropan-2-yl)oxymethyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-6-methyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 102251759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).