5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one

C11H17ClN4O — CID 114504898

IUPAC5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one
SMILESCC1CN(C)CCC1Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C11H17ClN4O/c1-7-6-16(2)4-3-8(7)14-9-5-13-15-11(17)10(9)12/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15,17)
InChIKeyJEFDRNYDKBSLEK-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.18
Rot. Bonds2

About 5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one

5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one (PubChem CID 114504898) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one
PubChem CID114504898
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one
SMILESCC1CN(C)CCC1Nc1cn[nH]c(=O)c1Cl
InChIInChI=1S/C11H17ClN4O/c1-7-6-16(2)4-3-8(7)14-9-5-13-15-11(17)10(9)12/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15,17)
InChIKeyJEFDRNYDKBSLEK-UHFFFAOYSA-N
XLogP1.18
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-[(1,3-dimethylpiperidin-4-yl)amino]-2-ethylpyridazin-3-one
CID 114504703
5-chloro-4-[(1-methyl-6-oxopiperidin-3-yl)amino]-1H-pyridazin-6-one
CID 78997179
5-chloro-4-(cyclobutylamino)-1H-pyridazin-6-one
CID 78950467
5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one
CID 78913428
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyridazin-6-one
CID 106996144
5-chloro-4-[(4-methylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
CID 78952462
5-chloro-4-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyridazin-6-one
CID 75539652
5-chloro-4-[[1-(2-methylpropyl)piperidin-4-yl]amino]-1H-pyridazin-6-one
CID 134038847
5-chloro-4-[(4-hydroxycyclohexyl)amino]-1H-pyridazin-6-one
CID 78913346
5-chloro-4-[[4-(hydroxymethyl)cyclohexyl]amino]-1H-pyridazin-6-one
CID 112753380
5-chloro-4-[[(3S)-1-phenylpyrrolidin-3-yl]amino]-1H-pyridazin-6-one
CID 97209139
4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136958128

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one (CID 114504898) is 5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one is CC1CN(C)CCC1Nc1cn[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one?
The InChIKey is JEFDRNYDKBSLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7-6-16(2)4-3-8(7)14-9-5-13-15-11(17)10(9)12/h5,7-8H,3-4,6H2,1-2H3,(H2,14,15,17).
What are the key properties of 5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one?
5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one has a molecular weight of 256.74 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[(1,3-dimethylpiperidin-4-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 114504898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).