N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine

C8H13ClN4 — CID 115319396

IUPACN'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ccc(Cl)nn1
InChIInChI=1S/C8H13ClN4/c1-13(6-2-5-10)8-4-3-7(9)11-12-8/h3-4H,2,5-6,10H2,1H3
InChIKeyWJDBMLMVEPNEOJ-UHFFFAOYSA-N
MW200.67 g/mol
LogP0.92
Rot. Bonds4

About N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine

N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine (PubChem CID 115319396) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine
PubChem CID115319396
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC NameN'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ccc(Cl)nn1
InChIInChI=1S/C8H13ClN4/c1-13(6-2-5-10)8-4-3-7(9)11-12-8/h3-4H,2,5-6,10H2,1H3
InChIKeyWJDBMLMVEPNEOJ-UHFFFAOYSA-N
XLogP0.92
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine (CID 115319396) is N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1ccc(Cl)nn1.
What is the InChIKey of N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine?
The InChIKey is WJDBMLMVEPNEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-13(6-2-5-10)8-4-3-7(9)11-12-8/h3-4H,2,5-6,10H2,1H3.
What are the key properties of N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine?
N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine has a molecular weight of 200.67 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115319396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).