2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one

C18H22ClN3O — CID 19245497

IUPAC2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one
SMILESCN(c1cnn(Cc2ccccc2)c(=O)c1Cl)C1CCCCC1
InChIInChI=1S/C18H22ClN3O/c1-21(15-10-6-3-7-11-15)16-12-20-22(18(23)17(16)19)13-14-8-4-2-5-9-14/h2,4-5,8-9,12,15H,3,6-7,10-11,13H2,1H3
InChIKeyQUQMXQRZWLCDPW-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.71
Rot. Bonds4

About 2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one

2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one (PubChem CID 19245497) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one
PubChem CID19245497
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one
SMILESCN(c1cnn(Cc2ccccc2)c(=O)c1Cl)C1CCCCC1
InChIInChI=1S/C18H22ClN3O/c1-21(15-10-6-3-7-11-15)16-12-20-22(18(23)17(16)19)13-14-8-4-2-5-9-14/h2,4-5,8-9,12,15H,3,6-7,10-11,13H2,1H3
InChIKeyQUQMXQRZWLCDPW-UHFFFAOYSA-N
XLogP3.71
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one (CID 19245497) is 2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one is CN(c1cnn(Cc2ccccc2)c(=O)c1Cl)C1CCCCC1.
What is the InChIKey of 2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one?
The InChIKey is QUQMXQRZWLCDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-21(15-10-6-3-7-11-15)16-12-20-22(18(23)17(16)19)13-14-8-4-2-5-9-14/h2,4-5,8-9,12,15H,3,6-7,10-11,13H2,1H3.
What are the key properties of 2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one?
2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one has a molecular weight of 331.85 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-chloro-5-[cyclohexyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 19245497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).