(3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine

C12H17ClN4 — CID 170444097

IUPAC(3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1cc(N[C@H]2CN3CCC2CC3)nnc1Cl
InChIInChI=1S/C12H17ClN4/c1-8-6-11(15-16-12(8)13)14-10-7-17-4-2-9(10)3-5-17/h6,9-10H,2-5,7H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyMAWMTKFCJBPJLU-JTQLQIEISA-N
MW252.75 g/mol
LogP1.94
Rot. Bonds2

About (3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine

(3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 170444097) has the molecular formula C12H17ClN4 and a molecular weight of 252.75 g/mol. Its IUPAC name is (3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound Name(3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID170444097
Molecular FormulaC12H17ClN4
Molecular Weight252.75 g/mol
Exact Mass252.11
IUPAC Name(3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCc1cc(N[C@H]2CN3CCC2CC3)nnc1Cl
InChIInChI=1S/C12H17ClN4/c1-8-6-11(15-16-12(8)13)14-10-7-17-4-2-9(10)3-5-17/h6,9-10H,2-5,7H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyMAWMTKFCJBPJLU-JTQLQIEISA-N
XLogP1.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of (3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 170444097) is (3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for (3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for (3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine is Cc1cc(N[C@H]2CN3CCC2CC3)nnc1Cl.
What is the InChIKey of (3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is MAWMTKFCJBPJLU-JTQLQIEISA-N. The full InChI is InChI=1S/C12H17ClN4/c1-8-6-11(15-16-12(8)13)14-10-7-17-4-2-9(10)3-5-17/h6,9-10H,2-5,7H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine?
(3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 252.75 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(6-chloro-5-methylpyridazin-3-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 170444097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).