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

C7H9Cl2N3O2 — CID 57187640

IUPAC1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]butan-2-ol
SMILESCCC(O)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O2/c1-2-4(13)3-14-7-11-5(8)10-6(9)12-7/h4,13H,2-3H2,1H3
InChIKeyKDUOJZXRFZKJQK-UHFFFAOYSA-N
MW238.07 g/mol
LogP1.33
Rot. Bonds4

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

1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]butan-2-ol (PubChem CID 57187640) has the molecular formula C7H9Cl2N3O2 and a molecular weight of 238.07 g/mol. Its IUPAC name is 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]butan-2-ol.

Molecular Properties

Compound Name1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]butan-2-ol
PubChem CID57187640
Molecular FormulaC7H9Cl2N3O2
Molecular Weight238.07 g/mol
Exact Mass237.01
IUPAC Name1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]butan-2-ol
SMILESCCC(O)COc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O2/c1-2-4(13)3-14-7-11-5(8)10-6(9)12-7/h4,13H,2-3H2,1H3
InChIKeyKDUOJZXRFZKJQK-UHFFFAOYSA-N
XLogP1.33
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 51.33
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]butan-2-ol?
The IUPAC name of 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]butan-2-ol (CID 57187640) is 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]butan-2-ol.
What is the SMILES notation for 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]butan-2-ol?
The canonical SMILES for 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]butan-2-ol is CCC(O)COc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]butan-2-ol?
The InChIKey is KDUOJZXRFZKJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O2/c1-2-4(13)3-14-7-11-5(8)10-6(9)12-7/h4,13H,2-3H2,1H3.
What are the key properties of 1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]butan-2-ol?
1-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]butan-2-ol has a molecular weight of 238.07 g/mol, XLogP of 1.33, 4 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]butan-2-ol is sourced from PubChem (CID 57187640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).