6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine

C11H15N3O — CID 91784637

IUPAC6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine
SMILESCc1ccc(N[C@@H]2C[C@@H]3OCC[C@@H]32)nn1
InChIInChI=1S/C11H15N3O/c1-7-2-3-11(14-13-7)12-9-6-10-8(9)4-5-15-10/h2-3,8-10H,4-6H2,1H3,(H,12,14)/t8-,9-,10+/m1/s1
InChIKeyMLXSRPDBZVQUEZ-BBBLOLIVSA-N
MW205.26 g/mol
LogP1.37
Rot. Bonds2

About 6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine

6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine (PubChem CID 91784637) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine
PubChem CID91784637
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine
SMILESCc1ccc(N[C@@H]2C[C@@H]3OCC[C@@H]32)nn1
InChIInChI=1S/C11H15N3O/c1-7-2-3-11(14-13-7)12-9-6-10-8(9)4-5-15-10/h2-3,8-10H,4-6H2,1H3,(H,12,14)/t8-,9-,10+/m1/s1
InChIKeyMLXSRPDBZVQUEZ-BBBLOLIVSA-N
XLogP1.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine?
The IUPAC name of 6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine (CID 91784637) is 6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine is Cc1ccc(N[C@@H]2C[C@@H]3OCC[C@@H]32)nn1.
What is the InChIKey of 6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine?
The InChIKey is MLXSRPDBZVQUEZ-BBBLOLIVSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7-2-3-11(14-13-7)12-9-6-10-8(9)4-5-15-10/h2-3,8-10H,4-6H2,1H3,(H,12,14)/t8-,9-,10+/m1/s1.
What are the key properties of 6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine?
6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine has a molecular weight of 205.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1S,5R,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]pyridazin-3-amine is sourced from PubChem (CID 91784637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).