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

C7H6Cl2N4O2 — CID 168704050

IUPAC1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H6Cl2N4O2/c8-5-10-6(9)12-7(11-5)13-2-3(14)1-4(13)15/h3,14H,1-2H2
InChIKeyQXCKSVKMNMCYAV-UHFFFAOYSA-N
MW249.06 g/mol
LogP0.28
Rot. Bonds1

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

1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one (PubChem CID 168704050) has the molecular formula C7H6Cl2N4O2 and a molecular weight of 249.06 g/mol. Its IUPAC name is 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
PubChem CID168704050
Molecular FormulaC7H6Cl2N4O2
Molecular Weight249.06 g/mol
Exact Mass247.99
IUPAC Name1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
SMILESO=C1CC(O)CN1c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H6Cl2N4O2/c8-5-10-6(9)12-7(11-5)13-2-3(14)1-4(13)15/h3,14H,1-2H2
InChIKeyQXCKSVKMNMCYAV-UHFFFAOYSA-N
XLogP0.28
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.06
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168702381
1-(4-Amino-6-chloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704051
1-(4,6-Diamino-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one
CID 168704055
4-Hydroxy-1-(1,3,5-triazin-2-yl)pyrrolidin-2-one
CID 168704143

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one (CID 168704050) is 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one is O=C1CC(O)CN1c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
The InChIKey is QXCKSVKMNMCYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N4O2/c8-5-10-6(9)12-7(11-5)13-2-3(14)1-4(13)15/h3,14H,1-2H2.
What are the key properties of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one?
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one has a molecular weight of 249.06 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168704050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).