1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol

C6H7Cl2N3O2 — CID 57251240

IUPAC1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol
SMILESCC(O)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H7Cl2N3O2/c1-3(12)2-13-6-10-4(7)9-5(8)11-6/h3,12H,2H2,1H3
InChIKeyZUCVBCSPDOCSCJ-UHFFFAOYSA-N
MW224.05 g/mol
LogP0.94
Rot. Bonds3

About 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol

1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol (PubChem CID 57251240) has the molecular formula C6H7Cl2N3O2 and a molecular weight of 224.05 g/mol. Its IUPAC name is 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol
PubChem CID57251240
Molecular FormulaC6H7Cl2N3O2
Molecular Weight224.05 g/mol
Exact Mass222.99
IUPAC Name1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol
SMILESCC(O)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H7Cl2N3O2/c1-3(12)2-13-6-10-4(7)9-5(8)11-6/h3,12H,2H2,1H3
InChIKeyZUCVBCSPDOCSCJ-UHFFFAOYSA-N
XLogP0.94
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.05
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol (CID 57251240) is 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol is CC(O)COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol?
The InChIKey is ZUCVBCSPDOCSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3O2/c1-3(12)2-13-6-10-4(7)9-5(8)11-6/h3,12H,2H2,1H3.
What are the key properties of 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol?
1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]propan-2-ol has a molecular weight of 224.05 g/mol, XLogP of 0.94, 3 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)oxy]propan-2-ol is sourced from PubChem (CID 57251240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).