4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane

C12H20N4 — CID 106897572

IUPAC4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane
SMILESCC1CCN(Cc2cccnn2)CCCN1
InChIInChI=1S/C12H20N4/c1-11-5-9-16(8-3-6-13-11)10-12-4-2-7-14-15-12/h2,4,7,11,13H,3,5-6,8-10H2,1H3
InChIKeySDEWQFVUOILKKO-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.05
Rot. Bonds2

About 4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane

4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane (PubChem CID 106897572) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane.

Molecular Properties

Compound Name4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane
PubChem CID106897572
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane
SMILESCC1CCN(Cc2cccnn2)CCCN1
InChIInChI=1S/C12H20N4/c1-11-5-9-16(8-3-6-13-11)10-12-4-2-7-14-15-12/h2,4,7,11,13H,3,5-6,8-10H2,1H3
InChIKeySDEWQFVUOILKKO-UHFFFAOYSA-N
XLogP1.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-butan-2-ylpiperazin-1-yl)methyl]pyridazine
CID 106897929
[1-(pyridazin-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 106897852
N-ethyl-3-methyl-1-(pyridazin-3-ylmethyl)piperidin-4-amine
CID 106896343
3-[[(2R)-2-methylpiperazin-1-yl]methyl]pyridazine;hydrochloride
CID 171779742
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64948769
3-[(2-methylpiperazin-1-yl)methyl]pyridazine;hydrochloride
CID 171779875
5-(pyridazin-3-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 171779799
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
3-[(1-ethylpiperidin-3-yl)methyl]pyridazine
CID 117106303
3-cyclopropyl-1-(pyridazin-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 106897973
3-(2-piperidin-1-ylethyl)pyridazine
CID 154363673
3-[(1-methylpyrrolidin-2-yl)methyl]pyridazine
CID 117105994

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane?
The IUPAC name of 4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane (CID 106897572) is 4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane.
What is the SMILES notation for 4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane?
The canonical SMILES for 4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane is CC1CCN(Cc2cccnn2)CCCN1.
What is the InChIKey of 4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane?
The InChIKey is SDEWQFVUOILKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-11-5-9-16(8-3-6-13-11)10-12-4-2-7-14-15-12/h2,4,7,11,13H,3,5-6,8-10H2,1H3.
What are the key properties of 4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane?
4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane has a molecular weight of 220.32 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(pyridazin-3-ylmethyl)-1,5-diazocane is sourced from PubChem (CID 106897572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).