5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one

C12H19ClN4O2 — CID 114444847

IUPAC5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NC2CCCC2N)c(Cl)c1=O
InChIInChI=1S/C12H19ClN4O2/c1-19-6-5-17-12(18)11(13)10(7-15-17)16-9-4-2-3-8(9)14/h7-9,16H,2-6,14H2,1H3
InChIKeyRVLYDASRBPUOJD-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.83
Rot. Bonds5

About 5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one

5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 114444847) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID114444847
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NC2CCCC2N)c(Cl)c1=O
InChIInChI=1S/C12H19ClN4O2/c1-19-6-5-17-12(18)11(13)10(7-15-17)16-9-4-2-3-8(9)14/h7-9,16H,2-6,14H2,1H3
InChIKeyRVLYDASRBPUOJD-UHFFFAOYSA-N
XLogP0.83
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-[(2-hydroxycycloheptyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114441395
4-chloro-5-[(2-ethylcyclopropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113236547
5-[(2-aminocycloheptyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114444887
4-chloro-2-(2-methoxyethyl)-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]pyridazin-3-one
CID 104922040
4-chloro-5-[(2,2-dimethylcyclohexyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115693522
3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 114439582
4-chloro-2-(2-methoxyethyl)-5-[(2-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 106995934
4-chloro-2-(2-methoxyethyl)-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 115619375
4-chloro-5-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114630307
4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114436261
4-chloro-2-(2-hydroxyethyl)-5-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazin-3-one
CID 106362266
methyl 2-[5-chloro-4-[(2-methylcyclopentyl)amino]-6-oxopyridazin-1-yl]acetate
CID 114437732

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one (CID 114444847) is 5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(NC2CCCC2N)c(Cl)c1=O.
What is the InChIKey of 5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is RVLYDASRBPUOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-19-6-5-17-12(18)11(13)10(7-15-17)16-9-4-2-3-8(9)14/h7-9,16H,2-6,14H2,1H3.
What are the key properties of 5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one?
5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 286.76 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 114444847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).