4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one

C11H16ClN3O2 — CID 113256019

IUPAC4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one
SMILESCOC1CCCC1Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-15-11(16)10(12)8(6-13-15)14-7-4-3-5-9(7)17-2/h6-7,9,14H,3-5H2,1-2H3
InChIKeyPUZAIEVIPZUMRT-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.41
Rot. Bonds3

About 4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one

4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one (PubChem CID 113256019) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one
PubChem CID113256019
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one
SMILESCOC1CCCC1Nc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C11H16ClN3O2/c1-15-11(16)10(12)8(6-13-15)14-7-4-3-5-9(7)17-2/h6-7,9,14H,3-5H2,1-2H3
InChIKeyPUZAIEVIPZUMRT-UHFFFAOYSA-N
XLogP1.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-methyl-5-[(2-methylcyclopentyl)amino]pyridazin-3-one
CID 115613233
4-chloro-5-[(2-hydroxycyclohexyl)amino]-2-methylpyridazin-3-one
CID 115611062
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one
CID 114417743
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
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 114417838
5-[(2-aminocyclopentyl)amino]-4-chloro-2-(2-methoxyethyl)pyridazin-3-one
CID 114444847
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-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one (CID 113256019) is 4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one is COC1CCCC1Nc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one?
The InChIKey is PUZAIEVIPZUMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-15-11(16)10(12)8(6-13-15)14-7-4-3-5-9(7)17-2/h6-7,9,14H,3-5H2,1-2H3.
What are the key properties of 4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one?
4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one has a molecular weight of 257.72 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(2-methoxycyclopentyl)amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 113256019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).