4,6-dichloro-1,3,5-triazin-2-olate

C3Cl2N3O- — CID 22016327

IUPAC4,6-dichloro-1,3,5-triazin-2-olate
SMILES[O-]c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C3HCl2N3O/c4-1-6-2(5)8-3(9)7-1/h(H,6,7,8,9)/p-1
InChIKeyYKUDHBLDJYZZQS-UHFFFAOYSA-M
MW164.96 g/mol
LogP0.25
Rot. Bonds

About 4,6-dichloro-1,3,5-triazin-2-olate

4,6-dichloro-1,3,5-triazin-2-olate (PubChem CID 22016327) has the molecular formula C3Cl2N3O- and a molecular weight of 164.96 g/mol. Its IUPAC name is 4,6-dichloro-1,3,5-triazin-2-olate.

Molecular Properties

Compound Name4,6-dichloro-1,3,5-triazin-2-olate
PubChem CID22016327
Molecular FormulaC3Cl2N3O-
Molecular Weight164.96 g/mol
Exact Mass163.94
IUPAC Name4,6-dichloro-1,3,5-triazin-2-olate
SMILES[O-]c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C3HCl2N3O/c4-1-6-2(5)8-3(9)7-1/h(H,6,7,8,9)/p-1
InChIKeyYKUDHBLDJYZZQS-UHFFFAOYSA-M
XLogP0.25
TPSA61.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.96
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-1,3,5-triazin-2-olate?
The IUPAC name of 4,6-dichloro-1,3,5-triazin-2-olate (CID 22016327) is 4,6-dichloro-1,3,5-triazin-2-olate.
What is the SMILES notation for 4,6-dichloro-1,3,5-triazin-2-olate?
The canonical SMILES for 4,6-dichloro-1,3,5-triazin-2-olate is [O-]c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-1,3,5-triazin-2-olate?
The InChIKey is YKUDHBLDJYZZQS-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HCl2N3O/c4-1-6-2(5)8-3(9)7-1/h(H,6,7,8,9)/p-1.
What are the key properties of 4,6-dichloro-1,3,5-triazin-2-olate?
4,6-dichloro-1,3,5-triazin-2-olate has a molecular weight of 164.96 g/mol, XLogP of 0.25, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1,3,5-triazin-2-olate is sourced from PubChem (CID 22016327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).