3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine

C21H24N4O — CID 22115691

IUPAC3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine
SMILESCc1cc(COc2ccc3cccc(N4CCN(C)CC4)c3c2)cnn1
InChIInChI=1S/C21H24N4O/c1-16-12-17(14-22-23-16)15-26-19-7-6-18-4-3-5-21(20(18)13-19)25-10-8-24(2)9-11-25/h3-7,12-14H,8-11,15H2,1-2H3
InChIKeyPSBAWNNXNYCQNA-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.27
Rot. Bonds4

About 3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine

3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine (PubChem CID 22115691) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine.

Molecular Properties

Compound Name3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine
PubChem CID22115691
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine
SMILESCc1cc(COc2ccc3cccc(N4CCN(C)CC4)c3c2)cnn1
InChIInChI=1S/C21H24N4O/c1-16-12-17(14-22-23-16)15-26-19-7-6-18-4-3-5-21(20(18)13-19)25-10-8-24(2)9-11-25/h3-7,12-14H,8-11,15H2,1-2H3
InChIKeyPSBAWNNXNYCQNA-UHFFFAOYSA-N
XLogP3.27
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine?
The IUPAC name of 3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine (CID 22115691) is 3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine.
What is the SMILES notation for 3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine?
The canonical SMILES for 3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine is Cc1cc(COc2ccc3cccc(N4CCN(C)CC4)c3c2)cnn1.
What is the InChIKey of 3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine?
The InChIKey is PSBAWNNXNYCQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-16-12-17(14-22-23-16)15-26-19-7-6-18-4-3-5-21(20(18)13-19)25-10-8-24(2)9-11-25/h3-7,12-14H,8-11,15H2,1-2H3.
What are the key properties of 3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine?
3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine has a molecular weight of 348.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[[8-(4-methylpiperazin-1-yl)naphthalen-2-yl]oxymethyl]pyridazine is sourced from PubChem (CID 22115691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).