3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine

C8H8Cl2N2O — CID 118948800

IUPAC3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine
SMILESCC1(c2cc(Cl)nnc2Cl)COC1
InChIInChI=1S/C8H8Cl2N2O/c1-8(3-13-4-8)5-2-6(9)11-12-7(5)10/h2H,3-4H2,1H3
InChIKeyROAMQBBJCYIGJE-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.07
Rot. Bonds1

About 3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine

3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine (PubChem CID 118948800) has the molecular formula C8H8Cl2N2O and a molecular weight of 219.07 g/mol. Its IUPAC name is 3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine
PubChem CID118948800
Molecular FormulaC8H8Cl2N2O
Molecular Weight219.07 g/mol
Exact Mass218.00
IUPAC Name3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine
SMILESCC1(c2cc(Cl)nnc2Cl)COC1
InChIInChI=1S/C8H8Cl2N2O/c1-8(3-13-4-8)5-2-6(9)11-12-7(5)10/h2H,3-4H2,1H3
InChIKeyROAMQBBJCYIGJE-UHFFFAOYSA-N
XLogP2.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine?
The IUPAC name of 3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine (CID 118948800) is 3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine.
What is the SMILES notation for 3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine?
The canonical SMILES for 3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine is CC1(c2cc(Cl)nnc2Cl)COC1.
What is the InChIKey of 3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine?
The InChIKey is ROAMQBBJCYIGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N2O/c1-8(3-13-4-8)5-2-6(9)11-12-7(5)10/h2H,3-4H2,1H3.
What are the key properties of 3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine?
3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine has a molecular weight of 219.07 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-(3-methyloxetan-3-yl)pyridazine is sourced from PubChem (CID 118948800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).