4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine

C13H21ClN4 — CID 79111682

IUPAC4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1ccc(Cl)nn1)C1CCC(N)CC1
InChIInChI=1S/C13H21ClN4/c1-2-9-18(11-5-3-10(15)4-6-11)13-8-7-12(14)16-17-13/h7-8,10-11H,2-6,9,15H2,1H3
InChIKeyYBIOWOHMKLAUPR-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.62
Rot. Bonds4

About 4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine

4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79111682) has the molecular formula C13H21ClN4 and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine
PubChem CID79111682
Molecular FormulaC13H21ClN4
Molecular Weight268.79 g/mol
Exact Mass268.15
IUPAC Name4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(c1ccc(Cl)nn1)C1CCC(N)CC1
InChIInChI=1S/C13H21ClN4/c1-2-9-18(11-5-3-10(15)4-6-11)13-8-7-12(14)16-17-13/h7-8,10-11H,2-6,9,15H2,1H3
InChIKeyYBIOWOHMKLAUPR-UHFFFAOYSA-N
XLogP2.62
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Chloro-6-(1-piperazinyl)pyridazine
CID 5294926
3-Chloro-6-(1-piperidinyl)pyridazine
CID 558392
(1R,4R)-2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 9990719
3-Chloro-6-(4-methylpiperazin-1-yl)pyridazine
CID 7098865
1-(3-Chloro-6-pyridazinyl)-homopiperazine
CID 10104631
3-Chloro-6-(cyclohexylamino)pyridazine
CID 3221059
3-Chloro-6-(4,4-dimethylpiperazin-4-ium-1-yl)pyridazine
CID 6418933
2-(6-Chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 18007882
3-(6-Chloropyridazin-3-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 44590008
1-(6-Chloropyridazin-3-yl)azepane
CID 6401290
3-(6-Chloropyridazin-3-yl)-3,8-diazabicyclo[3.2.1]octane
CID 6412645
(1S,4S)-2-(6-chloropyridazin-3-yl)-2,5-diazabicyclo[2.2.1]heptane
CID 10058979

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine (CID 79111682) is 4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine is CCCN(c1ccc(Cl)nn1)C1CCC(N)CC1.
What is the InChIKey of 4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is YBIOWOHMKLAUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4/c1-2-9-18(11-5-3-10(15)4-6-11)13-8-7-12(14)16-17-13/h7-8,10-11H,2-6,9,15H2,1H3.
What are the key properties of 4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine?
4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 268.79 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-chloropyridazin-3-yl)-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79111682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).