2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride

C9H13Cl3N4 — CID 146675318

IUPAC2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
SMILESCl.Cl.Clc1ccc(N2CC3CC2CN3)nn1
InChIInChI=1S/C9H11ClN4.2ClH/c10-8-1-2-9(13-12-8)14-5-6-3-7(14)4-11-6;;/h1-2,6-7,11H,3-5H2;2*1H
InChIKeyRLQYOMUDGFBKRY-UHFFFAOYSA-N
MW283.59 g/mol
LogP1.52
Rot. Bonds1

About 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride

2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride (PubChem CID 146675318) has the molecular formula C9H13Cl3N4 and a molecular weight of 283.59 g/mol. Its IUPAC name is 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride.

Molecular Properties

Compound Name2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
PubChem CID146675318
Molecular FormulaC9H13Cl3N4
Molecular Weight283.59 g/mol
Exact Mass282.02
IUPAC Name2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride
SMILESCl.Cl.Clc1ccc(N2CC3CC2CN3)nn1
InChIInChI=1S/C9H11ClN4.2ClH/c10-8-1-2-9(13-12-8)14-5-6-3-7(14)4-11-6;;/h1-2,6-7,11H,3-5H2;2*1H
InChIKeyRLQYOMUDGFBKRY-UHFFFAOYSA-N
XLogP1.52
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.59
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
The IUPAC name of 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride (CID 146675318) is 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride.
What is the SMILES notation for 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
The canonical SMILES for 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride is Cl.Cl.Clc1ccc(N2CC3CC2CN3)nn1.
What is the InChIKey of 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
The InChIKey is RLQYOMUDGFBKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4.2ClH/c10-8-1-2-9(13-12-8)14-5-6-3-7(14)4-11-6;;/h1-2,6-7,11H,3-5H2;2*1H.
What are the key properties of 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride?
2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride has a molecular weight of 283.59 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane;dihydrochloride is sourced from PubChem (CID 146675318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).