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

C18H23ClN4O — CID 138484498

IUPAC4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one
SMILESCc1ccccc1CN1CCN(c2cnn(C)c(=O)c2Cl)[C@H](C)C1
InChIInChI=1S/C18H23ClN4O/c1-13-6-4-5-7-15(13)12-22-8-9-23(14(2)11-22)16-10-20-21(3)18(24)17(16)19/h4-7,10,14H,8-9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyRROYXSPDPUYUBX-CQSZACIVSA-N
MW346.86 g/mol
LogP2.45
Rot. Bonds3

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

4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one (PubChem CID 138484498) has the molecular formula C18H23ClN4O and a molecular weight of 346.86 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one
PubChem CID138484498
Molecular FormulaC18H23ClN4O
Molecular Weight346.86 g/mol
Exact Mass346.16
IUPAC Name4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one
SMILESCc1ccccc1CN1CCN(c2cnn(C)c(=O)c2Cl)[C@H](C)C1
InChIInChI=1S/C18H23ClN4O/c1-13-6-4-5-7-15(13)12-22-8-9-23(14(2)11-22)16-10-20-21(3)18(24)17(16)19/h4-7,10,14H,8-9,11-12H2,1-3H3/t14-/m1/s1
InChIKeyRROYXSPDPUYUBX-CQSZACIVSA-N
XLogP2.45
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one (CID 138484498) is 4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one is Cc1ccccc1CN1CCN(c2cnn(C)c(=O)c2Cl)[C@H](C)C1.
What is the InChIKey of 4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one?
The InChIKey is RROYXSPDPUYUBX-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23ClN4O/c1-13-6-4-5-7-15(13)12-22-8-9-23(14(2)11-22)16-10-20-21(3)18(24)17(16)19/h4-7,10,14H,8-9,11-12H2,1-3H3/t14-/m1/s1.
What are the key properties of 4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one?
4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one has a molecular weight of 346.86 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[(2R)-2-methyl-4-[(2-methylphenyl)methyl]piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 138484498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).