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

C22H34Cl2N8O2 — CID 158190785

IUPAC4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
SMILESCN1CCC[C@@H](Nc2cnn(C)c(=O)c2Cl)C1.CN1CCC[C@@H](Nc2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/2C11H17ClN4O/c2*1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h2*6,8,14H,3-5,7H2,1-2H3/t2*8-/m11/s1
InChIKeyFZSNGVMXZATSSK-NWKMIUOTSA-N
MW513.47 g/mol
LogP1.88
Rot. Bonds4

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

4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one (PubChem CID 158190785) has the molecular formula C22H34Cl2N8O2 and a molecular weight of 513.47 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
PubChem CID158190785
Molecular FormulaC22H34Cl2N8O2
Molecular Weight513.47 g/mol
Exact Mass512.22
IUPAC Name4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one
SMILESCN1CCC[C@@H](Nc2cnn(C)c(=O)c2Cl)C1.CN1CCC[C@@H](Nc2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/2C11H17ClN4O/c2*1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h2*6,8,14H,3-5,7H2,1-2H3/t2*8-/m11/s1
InChIKeyFZSNGVMXZATSSK-NWKMIUOTSA-N
XLogP1.88
TPSA100.32 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.47
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one with MolForge

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Related Compounds

4-chloro-2-methyl-5-[(1-methylazepan-4-yl)amino]pyridazin-3-one
CID 121476455
4-chloro-5-(cyclopentylamino)-2-methylpyridazin-3-one
CID 33286886
4-chloro-2-methyl-5-[(1-methylpiperidin-4-yl)amino]pyridazin-3-one
CID 113222223
4-chloro-2-methyl-5-[(1-methylsulfonylpiperidin-3-yl)amino]pyridazin-3-one
CID 47406239
4-chloro-2-ethyl-5-[(1-methylazepan-3-yl)amino]pyridazin-3-one
CID 121476463
4-chloro-5-[(1-cyclopropylpyrrolidin-3-yl)amino]-2-methylpyridazin-3-one
CID 115611041
4-chloro-5-[(1,1-dioxothian-3-yl)amino]-2-methylpyridazin-3-one
CID 115657637
4-chloro-5-[(1-ethylpiperidin-4-yl)amino]-2-methylpyridazin-3-one
CID 113220917
4-chloro-5-[[1-(2-hydroxycyclohexyl)piperidin-4-yl]amino]-2-methylpyridazin-3-one
CID 133376432
4-chloro-2-methyl-5-(thiolan-3-ylamino)pyridazin-3-one
CID 103704352
4-chloro-2-methyl-5-[[1-(pyridin-2-ylmethyl)piperidin-3-yl]amino]pyridazin-3-one
CID 121472649
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-4-chloro-2-methylpyridazin-3-one
CID 114417743

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one (CID 158190785) is 4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one is CN1CCC[C@@H](Nc2cnn(C)c(=O)c2Cl)C1.CN1CCC[C@@H](Nc2cnn(C)c(=O)c2Cl)C1.
What is the InChIKey of 4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one?
The InChIKey is FZSNGVMXZATSSK-NWKMIUOTSA-N. The full InChI is InChI=1S/2C11H17ClN4O/c2*1-15-5-3-4-8(7-15)14-9-6-13-16(2)11(17)10(9)12/h2*6,8,14H,3-5,7H2,1-2H3/t2*8-/m11/s1.
What are the key properties of 4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one?
4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one has a molecular weight of 513.47 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[[(3R)-1-methylpiperidin-3-yl]amino]pyridazin-3-one is sourced from PubChem (CID 158190785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).