4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one

C11H16ClN3O — CID 115613233

IUPAC4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one
SMILESCC1CCCC1Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-7-4-3-5-8(7)14-9-6-13-15(2)11(16)10(9)12/h6-8,14H,3-5H2,1-2H3
InChIKeyYYMDOIJOAYEIRK-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.03
Rot. Bonds2

About 4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one (PubChem CID 115613233) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one
PubChem CID115613233
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one
SMILESCC1CCCC1Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O/c1-7-4-3-5-8(7)14-9-6-13-15(2)11(16)10(9)12/h6-8,14H,3-5H2,1-2H3
InChIKeyYYMDOIJOAYEIRK-UHFFFAOYSA-N
XLogP2.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[(2-hydroxycyclohexyl)amino]-2-methylpyridazin-3-one
CID 115611062
4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one
CID 113256019
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
methyl 2-[5-chloro-4-[(2-methylcyclopentyl)amino]-6-oxopyridazin-1-yl]acetate
CID 114437732
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one
CID 114417743
2-(1-adamantyl)-4-chloro-5-[[(1R,2R)-2-methylcyclohexyl]amino]pyridazin-3-one
CID 7474065
4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 113222223
4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
CID 121476455
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one
CID 103704352
4-chloro-5-[(1,1-dioxothian-3-yl)amino]-2-methylpyridazin-3-one
CID 115657637
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]azepan-2-one
CID 121476454

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one (CID 115613233) is 4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one is CC1CCCC1Nc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one?
The InChIKey is YYMDOIJOAYEIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-4-3-5-8(7)14-9-6-13-15(2)11(16)10(9)12/h6-8,14H,3-5H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one has a molecular weight of 241.72 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one is sourced from PubChem (CID 115613233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).