4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one

C12H19ClN4O2 — CID 114445107

IUPAC4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one
SMILESCN(c1cnn(CCO)c(=O)c1Cl)C1CCCNC1
InChIInChI=1S/C12H19ClN4O2/c1-16(9-3-2-4-14-7-9)10-8-15-17(5-6-18)12(19)11(10)13/h8-9,14,18H,2-7H2,1H3
InChIKeyMZGNGAYUKGZFHO-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.08
Rot. Bonds4

About 4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one

4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one (PubChem CID 114445107) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one
PubChem CID114445107
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one
SMILESCN(c1cnn(CCO)c(=O)c1Cl)C1CCCNC1
InChIInChI=1S/C12H19ClN4O2/c1-16(9-3-2-4-14-7-9)10-8-15-17(5-6-18)12(19)11(10)13/h8-9,14,18H,2-7H2,1H3
InChIKeyMZGNGAYUKGZFHO-UHFFFAOYSA-N
XLogP0.08
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one
CID 114445081
4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444942
4-bromo-2-(2-hydroxyethyl)-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444964
4-chloro-5-[ethyl(piperidin-3-yl)amino]-2-propylpyridazin-3-one
CID 114445120
5-chloro-2-(cyclobutylmethyl)-4-[methyl(piperidin-3-yl)amino]pyridazin-3-one
CID 114445095
2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one
CID 19245497
5-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114444208
5-[azetidin-3-yl(propyl)amino]-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114446030
4-chloro-5-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-2-propylpyridazin-3-one
CID 106621465
3-chloro-N-methyl-N-piperidin-3-ylpyridin-4-amine
CID 79841702
5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 107174264
4-chloro-5-[ethyl(piperidin-3-ylmethyl)amino]-2-methylpyridazin-3-one
CID 106643487

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one (CID 114445107) is 4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one is CN(c1cnn(CCO)c(=O)c1Cl)C1CCCNC1.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one?
The InChIKey is MZGNGAYUKGZFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-16(9-3-2-4-14-7-9)10-8-15-17(5-6-18)12(19)11(10)13/h8-9,14,18H,2-7H2,1H3.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one has a molecular weight of 286.76 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114445107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).