3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine

C13H21N5 — CID 126891751

IUPAC3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine
SMILESCc1ccc(N2CC(N3CCN(C)CC3)C2)nn1
InChIInChI=1S/C13H21N5/c1-11-3-4-13(15-14-11)18-9-12(10-18)17-7-5-16(2)6-8-17/h3-4,12H,5-10H2,1-2H3
InChIKeyHDURBZFQPXTSBE-UHFFFAOYSA-N
MW247.35 g/mol
LogP0.22
Rot. Bonds2

About 3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine

3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine (PubChem CID 126891751) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine
PubChem CID126891751
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine
SMILESCc1ccc(N2CC(N3CCN(C)CC3)C2)nn1
InChIInChI=1S/C13H21N5/c1-11-3-4-13(15-14-11)18-9-12(10-18)17-7-5-16(2)6-8-17/h3-4,12H,5-10H2,1-2H3
InChIKeyHDURBZFQPXTSBE-UHFFFAOYSA-N
XLogP0.22
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrido[2,3-b]pyrazine
CID 126891851
3-methyl-6-(4-methylpiperidin-1-yl)pyridazine
CID 59712116
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
3-methyl-6-(3-methylpiperazin-1-yl)pyridazine
CID 62478379
3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine
CID 126901305
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967
1-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]piperidin-3-ol
CID 45252722
3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol
CID 19773570
N-(4-methylpiperazin-1-yl)-1-(6-methylpyridazin-3-yl)piperidine-3-carboxamide
CID 121118540
4-(6-methylpyridazin-3-yl)thiomorpholine
CID 143735554
ethane;1-methyl-4-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]piperazine
CID 144607293
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine?
The IUPAC name of 3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine (CID 126891751) is 3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine.
What is the SMILES notation for 3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine?
The canonical SMILES for 3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine is Cc1ccc(N2CC(N3CCN(C)CC3)C2)nn1.
What is the InChIKey of 3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine?
The InChIKey is HDURBZFQPXTSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-11-3-4-13(15-14-11)18-9-12(10-18)17-7-5-16(2)6-8-17/h3-4,12H,5-10H2,1-2H3.
What are the key properties of 3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine?
3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine has a molecular weight of 247.35 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine is sourced from PubChem (CID 126891751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).