3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine

C7H9Cl2N3O — CID 81035644

IUPAC3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine
SMILESCC(C)COc1nc(Cl)nnc1Cl
InChIInChI=1S/C7H9Cl2N3O/c1-4(2)3-13-6-5(8)11-12-7(9)10-6/h4H,3H2,1-2H3
InChIKeyCAMHHDBSGHITLE-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.21
Rot. Bonds3

About 3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine

3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine (PubChem CID 81035644) has the molecular formula C7H9Cl2N3O and a molecular weight of 222.07 g/mol. Its IUPAC name is 3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine
PubChem CID81035644
Molecular FormulaC7H9Cl2N3O
Molecular Weight222.07 g/mol
Exact Mass221.01
IUPAC Name3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine
SMILESCC(C)COc1nc(Cl)nnc1Cl
InChIInChI=1S/C7H9Cl2N3O/c1-4(2)3-13-6-5(8)11-12-7(9)10-6/h4H,3H2,1-2H3
InChIKeyCAMHHDBSGHITLE-UHFFFAOYSA-N
XLogP2.21
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine (CID 81035644) is 3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine is CC(C)COc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine?
The InChIKey is CAMHHDBSGHITLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O/c1-4(2)3-13-6-5(8)11-12-7(9)10-6/h4H,3H2,1-2H3.
What are the key properties of 3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine?
3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine has a molecular weight of 222.07 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-(2-methylpropoxy)-1,2,4-triazine is sourced from PubChem (CID 81035644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).