3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine

C12H16Cl2N2O2 — CID 146402698

IUPAC3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine
SMILESCC(C)(OC1CCCCO1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-12(2,18-10-5-3-4-6-17-10)8-7-9(13)15-16-11(8)14/h7,10H,3-6H2,1-2H3
InChIKeyKGKCOFDKXOXQKA-UHFFFAOYSA-N
MW291.18 g/mol
LogP3.56
Rot. Bonds3

About 3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine

3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine (PubChem CID 146402698) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is 3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine
PubChem CID146402698
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC Name3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine
SMILESCC(C)(OC1CCCCO1)c1cc(Cl)nnc1Cl
InChIInChI=1S/C12H16Cl2N2O2/c1-12(2,18-10-5-3-4-6-17-10)8-7-9(13)15-16-11(8)14/h7,10H,3-6H2,1-2H3
InChIKeyKGKCOFDKXOXQKA-UHFFFAOYSA-N
XLogP3.56
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine?
The IUPAC name of 3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine (CID 146402698) is 3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine is CC(C)(OC1CCCCO1)c1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine?
The InChIKey is KGKCOFDKXOXQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-12(2,18-10-5-3-4-6-17-10)8-7-9(13)15-16-11(8)14/h7,10H,3-6H2,1-2H3.
What are the key properties of 3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine?
3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine has a molecular weight of 291.18 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-[2-(oxan-2-yloxy)propan-2-yl]pyridazine is sourced from PubChem (CID 146402698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).