4-(2-adamantyl)-3,6-dichloropyridazine

C14H16Cl2N2 — CID 59363339

IUPAC4-(2-adamantyl)-3,6-dichloropyridazine
SMILESClc1cc(C2C3CC4CC(C3)CC2C4)c(Cl)nn1
InChIInChI=1S/C14H16Cl2N2/c15-12-6-11(14(16)18-17-12)13-9-2-7-1-8(4-9)5-10(13)3-7/h6-10,13H,1-5H2
InChIKeyOZZIENMXHQBAIA-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.32
Rot. Bonds1

About 4-(2-adamantyl)-3,6-dichloropyridazine

4-(2-adamantyl)-3,6-dichloropyridazine (PubChem CID 59363339) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 4-(2-adamantyl)-3,6-dichloropyridazine.

Molecular Properties

Compound Name4-(2-adamantyl)-3,6-dichloropyridazine
PubChem CID59363339
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name4-(2-adamantyl)-3,6-dichloropyridazine
SMILESClc1cc(C2C3CC4CC(C3)CC2C4)c(Cl)nn1
InChIInChI=1S/C14H16Cl2N2/c15-12-6-11(14(16)18-17-12)13-9-2-7-1-8(4-9)5-10(13)3-7/h6-10,13H,1-5H2
InChIKeyOZZIENMXHQBAIA-UHFFFAOYSA-N
XLogP4.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-Dichloro-5,6,7,8-tetrahydro-5,8-ethanophthalazine
CID 6416107
3,6-Dichloro-4-[4-(fluoromethyl)cyclohex-3-en-1-yl]pyridazine
CID 87417031
3,6-Dichloro-4-cyclohex-2-en-1-ylpyridazine
CID 129110748
4-Butan-2-yl-3,6-dichloropyridazine
CID 10878279
3,6-Dichloro-4-cyclohexylpyridazine
CID 13755463
4-(1-Adamantyl)-3,6-dichloropyridazine
CID 14024164
3,6-Dichloro-4-(2-chlorocyclohexyl)pyridazine
CID 14349834
4-(Bicyclo[2.2.1]hept-1-yl)-3,6-dichloropyridazine
CID 18364946
3,6-Dichloro-4-hexylpyridazine
CID 18995741
3,6-Dichloro-4-cyclopentyl-pyridazine
CID 21187524
3,6-Dichloro-4-(2-chlorocycloheptyl)pyridazine
CID 21281902
3,6-Dichloro-4-cyclobutylpyridazine
CID 21973219

Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantyl)-3,6-dichloropyridazine?
The IUPAC name of 4-(2-adamantyl)-3,6-dichloropyridazine (CID 59363339) is 4-(2-adamantyl)-3,6-dichloropyridazine.
What is the SMILES notation for 4-(2-adamantyl)-3,6-dichloropyridazine?
The canonical SMILES for 4-(2-adamantyl)-3,6-dichloropyridazine is Clc1cc(C2C3CC4CC(C3)CC2C4)c(Cl)nn1.
What is the InChIKey of 4-(2-adamantyl)-3,6-dichloropyridazine?
The InChIKey is OZZIENMXHQBAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c15-12-6-11(14(16)18-17-12)13-9-2-7-1-8(4-9)5-10(13)3-7/h6-10,13H,1-5H2.
What are the key properties of 4-(2-adamantyl)-3,6-dichloropyridazine?
4-(2-adamantyl)-3,6-dichloropyridazine has a molecular weight of 283.20 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantyl)-3,6-dichloropyridazine is sourced from PubChem (CID 59363339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).