8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol

C16H26N4O — CID 80508232

IUPAC8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCc1nnc(N2C3CCC2CC(O)C3)c(CN)c1CC
InChIInChI=1S/C16H26N4O/c1-3-13-14(9-17)16(19-18-15(13)4-2)20-10-5-6-11(20)8-12(21)7-10/h10-12,21H,3-9,17H2,1-2H3
InChIKeyZIJSURRCOPJATE-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.55
Rot. Bonds4

About 8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol

8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 80508232) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID80508232
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCc1nnc(N2C3CCC2CC(O)C3)c(CN)c1CC
InChIInChI=1S/C16H26N4O/c1-3-13-14(9-17)16(19-18-15(13)4-2)20-10-5-6-11(20)8-12(21)7-10/h10-12,21H,3-9,17H2,1-2H3
InChIKeyZIJSURRCOPJATE-UHFFFAOYSA-N
XLogP1.55
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol (CID 80508232) is 8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol is CCc1nnc(N2C3CCC2CC(O)C3)c(CN)c1CC.
What is the InChIKey of 8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ZIJSURRCOPJATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-3-13-14(9-17)16(19-18-15(13)4-2)20-10-5-6-11(20)8-12(21)7-10/h10-12,21H,3-9,17H2,1-2H3.
What are the key properties of 8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 290.41 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(aminomethyl)-5,6-diethylpyridazin-3-yl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 80508232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).