ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane

C13H22N4 — CID 91579782

IUPACethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC.CN1C2CCC1CN(c1cccnn1)C2
InChIInChI=1S/C11H16N4.C2H6/c1-14-9-4-5-10(14)8-15(7-9)11-3-2-6-12-13-11;1-2/h2-3,6,9-10H,4-5,7-8H2,1H3;1-2H3
InChIKeyFFUIDZUADBXPII-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.79
Rot. Bonds1

About ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane

ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 91579782) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Nameethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane
PubChem CID91579782
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Nameethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane
SMILESCC.CN1C2CCC1CN(c1cccnn1)C2
InChIInChI=1S/C11H16N4.C2H6/c1-14-9-4-5-10(14)8-15(7-9)11-3-2-6-12-13-11;1-2/h2-3,6,9-10H,4-5,7-8H2,1H3;1-2H3
InChIKeyFFUIDZUADBXPII-UHFFFAOYSA-N
XLogP1.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane (CID 91579782) is ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane is CC.CN1C2CCC1CN(c1cccnn1)C2.
What is the InChIKey of ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is FFUIDZUADBXPII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4.C2H6/c1-14-9-4-5-10(14)8-15(7-9)11-3-2-6-12-13-11;1-2/h2-3,6,9-10H,4-5,7-8H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane?
ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 234.35 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-3-pyridazin-3-yl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 91579782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).