4-(1-adamantyl)-3,6-dichloropyridazine

C14H16Cl2N2 — CID 14024164

IUPAC4-(1-adamantyl)-3,6-dichloropyridazine
SMILESClc1cc(C23CC4CC(CC(C4)C2)C3)c(Cl)nn1
InChIInChI=1S/C14H16Cl2N2/c15-12-4-11(13(16)18-17-12)14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2
InChIKeyZLDZCYMOYSCKFY-UHFFFAOYSA-N
MW283.20 g/mol
LogP4.25
Rot. Bonds1

About 4-(1-adamantyl)-3,6-dichloropyridazine

4-(1-adamantyl)-3,6-dichloropyridazine (PubChem CID 14024164) has the molecular formula C14H16Cl2N2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 4-(1-adamantyl)-3,6-dichloropyridazine.

Molecular Properties

Compound Name4-(1-adamantyl)-3,6-dichloropyridazine
PubChem CID14024164
Molecular FormulaC14H16Cl2N2
Molecular Weight283.20 g/mol
Exact Mass282.07
IUPAC Name4-(1-adamantyl)-3,6-dichloropyridazine
SMILESClc1cc(C23CC4CC(CC(C4)C2)C3)c(Cl)nn1
InChIInChI=1S/C14H16Cl2N2/c15-12-4-11(13(16)18-17-12)14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2
InChIKeyZLDZCYMOYSCKFY-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-adamantyl)-3,6-dichloropyridazine?
The IUPAC name of 4-(1-adamantyl)-3,6-dichloropyridazine (CID 14024164) is 4-(1-adamantyl)-3,6-dichloropyridazine.
What is the SMILES notation for 4-(1-adamantyl)-3,6-dichloropyridazine?
The canonical SMILES for 4-(1-adamantyl)-3,6-dichloropyridazine is Clc1cc(C23CC4CC(CC(C4)C2)C3)c(Cl)nn1.
What is the InChIKey of 4-(1-adamantyl)-3,6-dichloropyridazine?
The InChIKey is ZLDZCYMOYSCKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2/c15-12-4-11(13(16)18-17-12)14-5-8-1-9(6-14)3-10(2-8)7-14/h4,8-10H,1-3,5-7H2.
What are the key properties of 4-(1-adamantyl)-3,6-dichloropyridazine?
4-(1-adamantyl)-3,6-dichloropyridazine has a molecular weight of 283.20 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-adamantyl)-3,6-dichloropyridazine is sourced from PubChem (CID 14024164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).