(2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

C16H20N4O — CID 91003209

IUPAC(2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC[C@@H]1[C@H](Nc2ccc(-c3ccoc3)nn2)C2CCN1CC2
InChIInChI=1S/C16H20N4O/c1-11-16(12-4-7-20(11)8-5-12)17-15-3-2-14(18-19-15)13-6-9-21-10-13/h2-3,6,9-12,16H,4-5,7-8H2,1H3,(H,17,19)/t11-,16+/m1/s1
InChIKeyQKDMQYMMZYPCBN-BZNIZROVSA-N
MW284.36 g/mol
LogP2.63
Rot. Bonds3

About (2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine

(2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 91003209) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID91003209
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name(2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
SMILESC[C@@H]1[C@H](Nc2ccc(-c3ccoc3)nn2)C2CCN1CC2
InChIInChI=1S/C16H20N4O/c1-11-16(12-4-7-20(11)8-5-12)17-15-3-2-14(18-19-15)13-6-9-21-10-13/h2-3,6,9-12,16H,4-5,7-8H2,1H3,(H,17,19)/t11-,16+/m1/s1
InChIKeyQKDMQYMMZYPCBN-BZNIZROVSA-N
XLogP2.63
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3S)-N-[6-(3,5-dimethylphenyl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491864
(2R,3R)-N-[6-(3-fluoro-4-methylphenyl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 90928452
(2R,3R)-2-methyl-N-[6-(4-methylsulfonylphenyl)pyridazin-3-yl]-1-azabicyclo[2.2.2]octan-3-amine
CID 91179773
(2R,3S)-2-methyl-N-[6-(5-methylthiophen-2-yl)pyridazin-3-yl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67491963
(2R,3R)-N-[6-(1H-indol-6-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 90994527
(2R,3S)-N-[6-(1H-indol-5-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491998
(2R,3S)-2-methyl-N-[6-(2-methyl-1,3-benzothiazol-5-yl)pyridazin-3-yl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67492086
2-methyl-N-[6-(4-methylthiophen-3-yl)pyridazin-3-yl]-1-azabicyclo[2.2.2]octan-3-amine
CID 77301934
N-[5-(4-methoxyphenyl)-2-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 77302110
(2R,3S)-2-methyl-N-(5-thiophen-2-yl-2-pyridinyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 67491859
(2R,3S)-2-methyl-N-[5-(3-methylphenyl)-2-pyridinyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 67492165
(2R,3S)-N-[6-(3,5-dimethylphenyl)-3-pyridinyl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 67491795

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine (CID 91003209) is (2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is C[C@@H]1[C@H](Nc2ccc(-c3ccoc3)nn2)C2CCN1CC2.
What is the InChIKey of (2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is QKDMQYMMZYPCBN-BZNIZROVSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-16(12-4-7-20(11)8-5-12)17-15-3-2-14(18-19-15)13-6-9-21-10-13/h2-3,6,9-12,16H,4-5,7-8H2,1H3,(H,17,19)/t11-,16+/m1/s1.
What are the key properties of (2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine?
(2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 284.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[6-(furan-3-yl)pyridazin-3-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 91003209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).