4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one

C13H20ClN3O — CID 114431188

IUPAC4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(NC2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C13H20ClN3O/c1-9(2)17-13(18)12(14)11(8-15-17)16-10-6-4-3-5-7-10/h8-10,16H,3-7H2,1-2H3
InChIKeyLSZCEWZXJDRMMH-UHFFFAOYSA-N
MW269.78 g/mol
LogP3.22
Rot. Bonds3

About 4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one

4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one (PubChem CID 114431188) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is 4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one
PubChem CID114431188
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one
SMILESCC(C)n1ncc(NC2CCCCC2)c(Cl)c1=O
InChIInChI=1S/C13H20ClN3O/c1-9(2)17-13(18)12(14)11(8-15-17)16-10-6-4-3-5-7-10/h8-10,16H,3-7H2,1-2H3
InChIKeyLSZCEWZXJDRMMH-UHFFFAOYSA-N
XLogP3.22
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[(1-oxothian-4-yl)amino]-2-propan-2-ylpyridazin-3-one
CID 114442369
4-chloro-2-propan-2-yl-5-(thian-3-ylamino)pyridazin-3-one
CID 114442995
4-chloro-5-(cyclopent-3-en-1-ylamino)-2-propan-2-ylpyridazin-3-one
CID 114442196
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-5-[(2,3-dimethylcyclopentyl)amino]-2-propan-2-ylpyridazin-3-one
CID 114439128
4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
CID 121476455
4-bromo-5-[[4-(methylamino)cyclohexyl]amino]-2-propan-2-ylpyridazin-3-one
CID 114446257
4-chloro-5-(cyclohexylamino)-2-prop-2-enylpyridazin-3-one
CID 114431194
4-chloro-5-[1-(oxolan-2-yl)ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114433352
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
CID 158190785
4-chloro-5-(1-cyclopropylbutan-2-ylamino)-2-propan-2-ylpyridazin-3-one
CID 114438367
4-chloro-5-[[(4S)-4-methoxypyrrolidin-3-yl]amino]-2-propan-2-ylpyridazin-3-one
CID 104922053

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one (CID 114431188) is 4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one is CC(C)n1ncc(NC2CCCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one?
The InChIKey is LSZCEWZXJDRMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O/c1-9(2)17-13(18)12(14)11(8-15-17)16-10-6-4-3-5-7-10/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one?
4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one has a molecular weight of 269.78 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(cyclohexylamino)-2-propan-2-ylpyridazin-3-one is sourced from PubChem (CID 114431188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).