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

C6H7Cl2N3O — CID 88731382

IUPAC1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol
SMILESCCC(O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H7Cl2N3O/c1-2-3(12)4-9-5(7)11-6(8)10-4/h3,12H,2H2,1H3
InChIKeyVGLUSJVHWARLMQ-UHFFFAOYSA-N
MW208.05 g/mol
LogP1.62
Rot. Bonds2

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

1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol (PubChem CID 88731382) has the molecular formula C6H7Cl2N3O and a molecular weight of 208.05 g/mol. Its IUPAC name is 1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol
PubChem CID88731382
Molecular FormulaC6H7Cl2N3O
Molecular Weight208.05 g/mol
Exact Mass207.00
IUPAC Name1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol
SMILESCCC(O)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C6H7Cl2N3O/c1-2-3(12)4-9-5(7)11-6(8)10-4/h3,12H,2H2,1H3
InChIKeyVGLUSJVHWARLMQ-UHFFFAOYSA-N
XLogP1.62
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol?
The IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol (CID 88731382) is 1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol.
What is the SMILES notation for 1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol?
The canonical SMILES for 1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol is CCC(O)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol?
The InChIKey is VGLUSJVHWARLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3O/c1-2-3(12)4-9-5(7)11-6(8)10-4/h3,12H,2H2,1H3.
What are the key properties of 1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol?
1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol has a molecular weight of 208.05 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1,3,5-triazin-2-yl)propan-1-ol is sourced from PubChem (CID 88731382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).