N-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine

C8H13ClN4 — CID 3227147

IUPACN-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(Cl)nn1
InChIInChI=1S/C8H13ClN4/c1-13(2)6-5-10-8-4-3-7(9)11-12-8/h3-4H,5-6H2,1-2H3,(H,10,12)
InChIKeyMTUCJBQJHWFEIE-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.10
Rot. Bonds4

About N-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine

N-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 3227147) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID3227147
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC NameN-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(Cl)nn1
InChIInChI=1S/C8H13ClN4/c1-13(2)6-5-10-8-4-3-7(9)11-12-8/h3-4H,5-6H2,1-2H3,(H,10,12)
InChIKeyMTUCJBQJHWFEIE-UHFFFAOYSA-N
XLogP1.10
TPSA41.05 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 ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Chloro-6-(1-piperazinyl)pyridazine
CID 5294926
6-Chloro-N-methylpyridazin-3-amine
CID 588540
3-Chloro-6-(cyclohexylamino)pyridazine
CID 3221059
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
6-chloro-N,N-dimethylpyridazin-3-amine
CID 252474
2-[(6-Chloropyridazin-3-yl)amino]ethan-1-ol
CID 582312
3-Chloro-6-(1-pyrrolidinyl)pyridazine
CID 7020363
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

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine (CID 3227147) is N-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccc(Cl)nn1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is MTUCJBQJHWFEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-13(2)6-5-10-8-4-3-7(9)11-12-8/h3-4H,5-6H2,1-2H3,(H,10,12).
What are the key properties of N-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine?
N-(6-chloropyridazin-3-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 200.67 g/mol, XLogP of 1.10, 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',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 3227147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).