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

C11H19ClN4 — CID 559472

IUPACN-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ccc(Cl)nn1
InChIInChI=1S/C11H19ClN4/c1-3-16(4-2)9-5-8-13-11-7-6-10(12)14-15-11/h6-7H,3-5,8-9H2,1-2H3,(H,13,15)
InChIKeyOVLVQTHVTQIMSL-UHFFFAOYSA-N
MW242.75 g/mol
LogP2.27
Rot. Bonds7

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

N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 559472) has the molecular formula C11H19ClN4 and a molecular weight of 242.75 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine
PubChem CID559472
Molecular FormulaC11H19ClN4
Molecular Weight242.75 g/mol
Exact Mass242.13
IUPAC NameN-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine
SMILESCCN(CC)CCCNc1ccc(Cl)nn1
InChIInChI=1S/C11H19ClN4/c1-3-16(4-2)9-5-8-13-11-7-6-10(12)14-15-11/h6-7H,3-5,8-9H2,1-2H3,(H,13,15)
InChIKeyOVLVQTHVTQIMSL-UHFFFAOYSA-N
XLogP2.27
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
CID 60792604
6-chloro-N-(4-methylpentyl)pyridazin-3-amine
CID 61039068
N',N'-diethyl-N-(6-methylpyridazin-3-yl)ethane-1,2-diamine
CID 61313304
5-[(6-chloropyridazin-3-yl)amino]pentan-2-ol
CID 106128611
6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine
CID 115520523
N-(5-bromo-6-methyl-2-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 106544023
3-[3-(diethylamino)propylamino]-1H-pyridazin-6-one
CID 121205903
N-[3-(diethylamino)propyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 62166382
N-(2-chloro-6-ethylpyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82460551
N-(6-chloropyridazin-3-yl)-N'-cyclopentyl-N'-methylethane-1,2-diamine
CID 55205070
N-(2-chloroquinolin-5-yl)-N',N'-diethylpropane-1,3-diamine
CID 4667810
N',N'-diethyl-N-(6-hydrazinyl-2-pyridinyl)propane-1,3-diamine
CID 80944940

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine (CID 559472) is N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine is CCN(CC)CCCNc1ccc(Cl)nn1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is OVLVQTHVTQIMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4/c1-3-16(4-2)9-5-8-13-11-7-6-10(12)14-15-11/h6-7H,3-5,8-9H2,1-2H3,(H,13,15).
What are the key properties of N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine?
N-(6-chloropyridazin-3-yl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 242.75 g/mol, XLogP of 2.27, 7 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',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 559472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).