4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one

C11H16ClN3O2 — CID 115682887

IUPAC4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC2(CO)CCCC2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3O2/c1-15-10(17)9(12)8(6-13-15)14-11(7-16)4-2-3-5-11/h6,14,16H,2-5,7H2,1H3
InChIKeyNKAGIOAPVONWEP-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.15
Rot. Bonds3

About 4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one

4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one (PubChem CID 115682887) has the molecular formula C11H16ClN3O2 and a molecular weight of 257.72 g/mol. Its IUPAC name is 4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one
PubChem CID115682887
Molecular FormulaC11H16ClN3O2
Molecular Weight257.72 g/mol
Exact Mass257.09
IUPAC Name4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one
SMILESCn1ncc(NC2(CO)CCCC2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3O2/c1-15-10(17)9(12)8(6-13-15)14-11(7-16)4-2-3-5-11/h6,14,16H,2-5,7H2,1H3
InChIKeyNKAGIOAPVONWEP-UHFFFAOYSA-N
XLogP1.15
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2-propan-2-ylpyridazin-3-one
CID 114437206
4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-(2-methylpropyl)pyridazin-3-one
CID 114437168
4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one
CID 115624676
4-chloro-5-[[1-(hydroxymethyl)cyclohexyl]amino]-2-prop-2-enylpyridazin-3-one
CID 114437207
4-bromo-5-[[4-(hydroxymethyl)oxan-4-yl]amino]-2-methylpyridazin-3-one
CID 114170435
4-bromo-5-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2-methylpyridazin-3-one
CID 114437226
4-bromo-2-(2-hydroxyethyl)-5-[[1-(hydroxymethyl)cyclohexyl]amino]pyridazin-3-one
CID 114437211
4-chloro-5-[(2,3-dihydroxy-2-methylpropyl)amino]-2-methylpyridazin-3-one
CID 114417844
4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one
CID 115681090
4-chloro-2-(2-hydroxyethyl)-5-[(1-methylcyclopropyl)amino]pyridazin-3-one
CID 114442535
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one
CID 47149136

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one (CID 115682887) is 4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one is Cn1ncc(NC2(CO)CCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one?
The InChIKey is NKAGIOAPVONWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O2/c1-15-10(17)9(12)8(6-13-15)14-11(7-16)4-2-3-5-11/h6,14,16H,2-5,7H2,1H3.
What are the key properties of 4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one?
4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one has a molecular weight of 257.72 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[1-(hydroxymethyl)cyclopentyl]amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 115682887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).