3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one

C11H15N5O — CID 141312596

IUPAC3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESNc1ccc(N2CC3CCC(CC2=O)N3)nn1
InChIInChI=1S/C11H15N5O/c12-9-3-4-10(15-14-9)16-6-8-2-1-7(13-8)5-11(16)17/h3-4,7-8,13H,1-2,5-6H2,(H2,12,14)
InChIKeyQBRKHWOGYYTDGH-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.08
Rot. Bonds1

About 3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one

3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one (PubChem CID 141312596) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one.

Molecular Properties

Compound Name3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one
PubChem CID141312596
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one
SMILESNc1ccc(N2CC3CCC(CC2=O)N3)nn1
InChIInChI=1S/C11H15N5O/c12-9-3-4-10(15-14-9)16-6-8-2-1-7(13-8)5-11(16)17/h3-4,7-8,13H,1-2,5-6H2,(H2,12,14)
InChIKeyQBRKHWOGYYTDGH-UHFFFAOYSA-N
XLogP-0.08
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,6S)-3-pyridin-3-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 141312605
4-hydroxy-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one
CID 168703466
1-(6-aminopyridazin-3-yl)-3H-pyrrol-2-one
CID 155674034
[1-(6-bromopyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168674110
6-(4-methylpiperidin-1-yl)pyridazin-3-amine
CID 66520536
1-(6-chloropyridazin-3-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671631
[1-(6-methylpyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673487
4-(azidomethyl)-1-(6-methylpyridazin-3-yl)pyrrolidin-2-one
CID 168656926
[1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673095
4-(azidomethyl)-1-(6-iodopyridazin-3-yl)pyrrolidin-2-one
CID 168657877
1-(6-methoxypyridazin-3-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168711498
tert-butyl (2R,6S)-4-(6-aminopyridazin-3-yl)-2,6-dimethylpiperazine-1-carboxylate
CID 168895164

Frequently Asked Questions

What is the IUPAC name of 3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one?
The IUPAC name of 3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one (CID 141312596) is 3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one.
What is the SMILES notation for 3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one?
The canonical SMILES for 3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one is Nc1ccc(N2CC3CCC(CC2=O)N3)nn1.
What is the InChIKey of 3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one?
The InChIKey is QBRKHWOGYYTDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-9-3-4-10(15-14-9)16-6-8-2-1-7(13-8)5-11(16)17/h3-4,7-8,13H,1-2,5-6H2,(H2,12,14).
What are the key properties of 3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one?
3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one has a molecular weight of 233.27 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-aminopyridazin-3-yl)-3,9-diazabicyclo[4.2.1]nonan-4-one is sourced from PubChem (CID 141312596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).