3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine

C15H25N5 — CID 126892343

IUPAC3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine
SMILESCC(C)N1CCN(C2CN(Cc3cccnn3)C2)CC1
InChIInChI=1S/C15H25N5/c1-13(2)19-6-8-20(9-7-19)15-11-18(12-15)10-14-4-3-5-16-17-14/h3-5,13,15H,6-12H2,1-2H3
InChIKeyIRVDWBJEUNXOQA-UHFFFAOYSA-N
MW275.40 g/mol
LogP0.69
Rot. Bonds4

About 3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine

3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine (PubChem CID 126892343) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine.

Molecular Properties

Compound Name3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine
PubChem CID126892343
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine
SMILESCC(C)N1CCN(C2CN(Cc3cccnn3)C2)CC1
InChIInChI=1S/C15H25N5/c1-13(2)19-6-8-20(9-7-19)15-11-18(12-15)10-14-4-3-5-16-17-14/h3-5,13,15H,6-12H2,1-2H3
InChIKeyIRVDWBJEUNXOQA-UHFFFAOYSA-N
XLogP0.69
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 50.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 126892376
5-(pyridazin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 171779799
3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine
CID 106897929
5-methyl-2-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126892374
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-oxazole
CID 126892405
3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 126892359
[1-(pyridazin-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 106897852
5-(6-propan-2-ylpyrimidin-4-yl)-2-(pyridazin-3-ylmethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932136
1-[1-(2,2-dimethylpropyl)azetidin-3-yl]-4-propan-2-ylpiperazine
CID 146180125
N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine
CID 106896343
4-[[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]methyl]-2-methylpyrimidine
CID 126892666
4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane
CID 106897572

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine?
The IUPAC name of 3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine (CID 126892343) is 3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine.
What is the SMILES notation for 3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine?
The canonical SMILES for 3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine is CC(C)N1CCN(C2CN(Cc3cccnn3)C2)CC1.
What is the InChIKey of 3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine?
The InChIKey is IRVDWBJEUNXOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-13(2)19-6-8-20(9-7-19)15-11-18(12-15)10-14-4-3-5-16-17-14/h3-5,13,15H,6-12H2,1-2H3.
What are the key properties of 3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine?
3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine has a molecular weight of 275.40 g/mol, XLogP of 0.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazine is sourced from PubChem (CID 126892343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).