6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione

C12H18N4O3 — CID 55237026

IUPAC6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2C3CCC2CC(O)C3)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O3/c1-14-11(18)10(13-15(2)12(14)19)16-7-3-4-8(16)6-9(17)5-7/h7-9,17H,3-6H2,1-2H3
InChIKeyLJYZNLVJTJWASG-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.03
Rot. Bonds1

About 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione

6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione (PubChem CID 55237026) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
PubChem CID55237026
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione
SMILESCn1nc(N2C3CCC2CC(O)C3)c(=O)n(C)c1=O
InChIInChI=1S/C12H18N4O3/c1-14-11(18)10(13-15(2)12(14)19)16-7-3-4-8(16)6-9(17)5-7/h7-9,17H,3-6H2,1-2H3
InChIKeyLJYZNLVJTJWASG-UHFFFAOYSA-N
XLogP-1.03
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-[2-(Hydroxymethyl)piperidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 60658547
6-[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 62468132
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2H-1,2,4-triazine-3,5-dione
CID 63767987

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione (CID 55237026) is 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione is Cn1nc(N2C3CCC2CC(O)C3)c(=O)n(C)c1=O.
What is the InChIKey of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
The InChIKey is LJYZNLVJTJWASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-14-11(18)10(13-15(2)12(14)19)16-7-3-4-8(16)6-9(17)5-7/h7-9,17H,3-6H2,1-2H3.
What are the key properties of 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione?
6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione has a molecular weight of 266.30 g/mol, XLogP of -1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-2,4-dimethyl-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 55237026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).