3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine

C10H13Cl3N2O2 — CID 139609491

IUPAC3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine
SMILESCC(C)COCCOc1c(Cl)nnc(Cl)c1Cl
InChIInChI=1S/C10H13Cl3N2O2/c1-6(2)5-16-3-4-17-8-7(11)9(12)14-15-10(8)13/h6H,3-5H2,1-2H3
InChIKeyIUDBZVNLWINMFB-UHFFFAOYSA-N
MW299.59 g/mol
LogP3.49
Rot. Bonds6

About 3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine

3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine (PubChem CID 139609491) has the molecular formula C10H13Cl3N2O2 and a molecular weight of 299.59 g/mol. Its IUPAC name is 3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine.

Molecular Properties

Compound Name3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine
PubChem CID139609491
Molecular FormulaC10H13Cl3N2O2
Molecular Weight299.59 g/mol
Exact Mass298.00
IUPAC Name3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine
SMILESCC(C)COCCOc1c(Cl)nnc(Cl)c1Cl
InChIInChI=1S/C10H13Cl3N2O2/c1-6(2)5-16-3-4-17-8-7(11)9(12)14-15-10(8)13/h6H,3-5H2,1-2H3
InChIKeyIUDBZVNLWINMFB-UHFFFAOYSA-N
XLogP3.49
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.59
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-[2-(2-methylpropoxy)ethoxy]pyridazine
CID 106447482
1-(bromomethyl)-3-chloro-2-[2-(2-methylpropoxy)ethoxy]benzene
CID 106454047
3-chloro-5-(chloromethyl)-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448479
5-chloro-2-[2-(2-methylpropoxy)ethoxy]pyridine
CID 106448551
[3,5-dimethyl-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanamine
CID 106449258
5-chloro-1-(chloromethyl)-3-methoxy-2-[2-(2-methylpropoxy)ethoxy]benzene
CID 106454056
1-[3,5-dichloro-2-[2-(2-methylpropoxy)ethoxy]phenyl]-N-methylmethanamine
CID 106449933
4-bromo-6-[2-(2-methylpropoxy)ethoxy]pyrimidine
CID 106447502
[3-[2-(2-methylpropoxy)ethoxy]pyrazin-2-yl]methanamine
CID 106446703
5-bromo-2-[2-(2-methylpropoxy)ethoxy]pyrimidine
CID 69073848
N-[[5-chloro-6-[2-(2-methylpropoxy)ethoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106449522
2,4-dimethyl-3-[2-(2-methylpropoxy)ethoxy]aniline
CID 106449319

Frequently Asked Questions

What is the IUPAC name of 3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine?
The IUPAC name of 3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine (CID 139609491) is 3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine.
What is the SMILES notation for 3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine?
The canonical SMILES for 3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine is CC(C)COCCOc1c(Cl)nnc(Cl)c1Cl.
What is the InChIKey of 3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine?
The InChIKey is IUDBZVNLWINMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl3N2O2/c1-6(2)5-16-3-4-17-8-7(11)9(12)14-15-10(8)13/h6H,3-5H2,1-2H3.
What are the key properties of 3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine?
3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine has a molecular weight of 299.59 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6-trichloro-5-[2-(2-methylpropoxy)ethoxy]pyridazine is sourced from PubChem (CID 139609491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).