N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride

C6H12Cl2N4 — CID 121209039

IUPACN'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNc1cccnn1
InChIInChI=1S/C6H10N4.2ClH/c7-3-5-8-6-2-1-4-9-10-6;;/h1-2,4H,3,5,7H2,(H,8,10);2*1H
InChIKeyFOTFHBMAGIYDCM-UHFFFAOYSA-N
MW211.10 g/mol
LogP0.69
Rot. Bonds3

About N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride

N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride (PubChem CID 121209039) has the molecular formula C6H12Cl2N4 and a molecular weight of 211.10 g/mol. Its IUPAC name is N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride
PubChem CID121209039
Molecular FormulaC6H12Cl2N4
Molecular Weight211.10 g/mol
Exact Mass210.04
IUPAC NameN'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride
SMILESCl.Cl.NCCNc1cccnn1
InChIInChI=1S/C6H10N4.2ClH/c7-3-5-8-6-2-1-4-9-10-6;;/h1-2,4H,3,5,7H2,(H,8,10);2*1H
InChIKeyFOTFHBMAGIYDCM-UHFFFAOYSA-N
XLogP0.69
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride (CID 121209039) is N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride is Cl.Cl.NCCNc1cccnn1.
What is the InChIKey of N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride?
The InChIKey is FOTFHBMAGIYDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.2ClH/c7-3-5-8-6-2-1-4-9-10-6;;/h1-2,4H,3,5,7H2,(H,8,10);2*1H.
What are the key properties of N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride?
N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride has a molecular weight of 211.10 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-pyridazin-3-ylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 121209039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).