4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone

C11H16ClN3O — CID 779089

IUPAC4-chloro-2-cyclohexyl-5-(methylamino)pyridazin-3-one
SMILESCNC1=C(C(=O)N(N=C1)C2CCCCC2)Cl
InChIInChI=1S/C11H16ClN3O/c1-13-9-7-14-15(11(16)10(9)12)8-5-3-2-4-6-8/h7-8,13H,2-6H2,1H3
InChIKeyCCKVNVQCTNBUFN-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.30
Rot. Bonds2

About 4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone

4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone (PubChem CID 779089) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-2-cyclohexyl-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone
PubChem CID779089
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-2-cyclohexyl-5-(methylamino)pyridazin-3-one
SMILESCNC1=C(C(=O)N(N=C1)C2CCCCC2)Cl
InChIInChI=1S/C11H16ClN3O/c1-13-9-7-14-15(11(16)10(9)12)8-5-3-2-4-6-8/h7-8,13H,2-6H2,1H3
InChIKeyCCKVNVQCTNBUFN-UHFFFAOYSA-N
XLogP2.30
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity345

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chlorol-2-methyl-5-[[(3~{R})-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 121476448
4-Chloro-2-methyl-5-((1-methylpiperidin-3-yl)amino)pyridazin-3(2H)-one
CID 115611029
(S)-4-Chloro-2-methyl-5-((1-methylpiperidin-3-yl)amino)pyridazin-3(2H)-one
CID 121472643
N-cyclohexyl-2-(4,5-dichloro-6-oxopyridazin-1-yl)acetamide
CID 2701065
4-Chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 113222223
5-(Azepan-3-ylamino)-4-chloro-2-methylpyridazin-3-one
CID 113585522
4-Chloro-5-methylamino-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
CID 53353683
4-Chloro-5-n-propylamino-2-(3,3,5,5-tetramethylcyclohexyl)pyridazin-3-one
CID 53353685
US10239861, Example 1
CID 121472623
US10239861, Example 57
CID 121472625
US10239861, Example 32
CID 121472626
US10239861, Example 40
CID 121472627

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone?
The IUPAC name of 4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone (CID 779089) is 4-chloro-2-cyclohexyl-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone?
The canonical SMILES for 4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone is CNC1=C(C(=O)N(N=C1)C2CCCCC2)Cl.
What is the InChIKey of 4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone?
The InChIKey is CCKVNVQCTNBUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-13-9-7-14-15(11(16)10(9)12)8-5-3-2-4-6-8/h7-8,13H,2-6H2,1H3.
What are the key properties of 4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone?
4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone has a molecular weight of 241.72 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclohexyl-5-(methylamino)-3(2H)-pyridazinone is sourced from PubChem (CID 779089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).