4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one

C12H19ClN4O — CID 114417794

IUPAC4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
SMILESCN1CCCCC1CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C12H19ClN4O/c1-16-6-4-3-5-9(16)7-14-10-8-15-17(2)12(18)11(10)13/h8-9,14H,3-7H2,1-2H3
InChIKeyCGUNSKZXUQWTJY-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.33
Rot. Bonds3

About 4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one

4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one (PubChem CID 114417794) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
PubChem CID114417794
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
SMILESCN1CCCCC1CNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C12H19ClN4O/c1-16-6-4-3-5-9(16)7-14-10-8-15-17(2)12(18)11(10)13/h8-9,14H,3-7H2,1-2H3
InChIKeyCGUNSKZXUQWTJY-UHFFFAOYSA-N
XLogP1.33
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[(1-methylpyrrolidin-2-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 106026687
4-chloro-2-(2-methoxyethyl)-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114436261
4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-methylpyrrolidin-2-yl)methylamino]pyridazin-3-one
CID 106026691
4-chloro-5-[[2-(4-methoxyphenyl)-1-methylpiperidin-3-yl]methylamino]-2-methylpyridazin-3-one
CID 133315934
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one
CID 103269750
4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one
CID 47149136
5-chloro-2-(cyclopropylmethyl)-4-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one
CID 114436255
4-bromo-5-[(1-methylpiperidin-2-yl)methylamino]-2-prop-2-enylpyridazin-3-one
CID 114436257
4-chloro-5-[(1-ethylpyrrolidin-2-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114432598
3-chloro-4-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 55181036
N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113222220

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one (CID 114417794) is 4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one is CN1CCCCC1CNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one?
The InChIKey is CGUNSKZXUQWTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-16-6-4-3-5-9(16)7-14-10-8-15-17(2)12(18)11(10)13/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one?
4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one has a molecular weight of 270.76 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(1-methylpiperidin-2-yl)methylamino]pyridazin-3-one is sourced from PubChem (CID 114417794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).