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

C10H17ClN4 — CID 63698928

IUPACN'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1ccc(Cl)nn1
InChIInChI=1S/C10H17ClN4/c1-14(2)7-4-8-15(3)10-6-5-9(11)12-13-10/h5-6H,4,7-8H2,1-3H3
InChIKeyIUFOHQRODJXFTK-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.52
Rot. Bonds5

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

N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63698928) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63698928
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC NameN'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)c1ccc(Cl)nn1
InChIInChI=1S/C10H17ClN4/c1-14(2)7-4-8-15(3)10-6-5-9(11)12-13-10/h5-6H,4,7-8H2,1-3H3
InChIKeyIUFOHQRODJXFTK-UHFFFAOYSA-N
XLogP1.52
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine (CID 63698928) is N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)c1ccc(Cl)nn1.
What is the InChIKey of N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is IUFOHQRODJXFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-14(2)7-4-8-15(3)10-6-5-9(11)12-13-10/h5-6H,4,7-8H2,1-3H3.
What are the key properties of N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine?
N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 228.73 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-chloropyridazin-3-yl)-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63698928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).