1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one

C9H12N4O4 — CID 168702381

IUPAC1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESCOc1nc(OC)nc(N2CC(O)CC2=O)n1
InChIInChI=1S/C9H12N4O4/c1-16-8-10-7(11-9(12-8)17-2)13-4-5(14)3-6(13)15/h5,14H,3-4H2,1-2H3
InChIKeyCHECLOUJPGFDFD-UHFFFAOYSA-N
MW240.22 g/mol
LogP-1.01
Rot. Bonds3

About 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one

1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168702381) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168702381
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESCOc1nc(OC)nc(N2CC(O)CC2=O)n1
InChIInChI=1S/C9H12N4O4/c1-16-8-10-7(11-9(12-8)17-2)13-4-5(14)3-6(13)15/h5,14H,3-4H2,1-2H3
InChIKeyCHECLOUJPGFDFD-UHFFFAOYSA-N
XLogP-1.01
TPSA97.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one (CID 168702381) is 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one is COc1nc(OC)nc(N2CC(O)CC2=O)n1.
What is the InChIKey of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is CHECLOUJPGFDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-16-8-10-7(11-9(12-8)17-2)13-4-5(14)3-6(13)15/h5,14H,3-4H2,1-2H3.
What are the key properties of 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 240.22 g/mol, XLogP of -1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).