trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol

C10H14ClN3O — CID 92981263

IUPACtrans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O/c11-9-5-6-10(14-13-9)12-7-3-1-2-4-8(7)15/h5-8,15H,1-4H2,(H,12,14)/t7-,8-/m1/s1
InChIKeyAZXZTAZYWLXEPE-HTQZYQBOSA-N
MW227.69 g/mol
LogP1.85
Rot. Bonds2

About trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol

trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol (PubChem CID 92981263) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol
PubChem CID92981263
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Nametrans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1ccc(Cl)nn1
InChIInChI=1S/C10H14ClN3O/c11-9-5-6-10(14-13-9)12-7-3-1-2-4-8(7)15/h5-8,15H,1-4H2,(H,12,14)/t7-,8-/m1/s1
InChIKeyAZXZTAZYWLXEPE-HTQZYQBOSA-N
XLogP1.85
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol (CID 92981263) is trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Nc1ccc(Cl)nn1.
What is the InChIKey of trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol?
The InChIKey is AZXZTAZYWLXEPE-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H14ClN3O/c11-9-5-6-10(14-13-9)12-7-3-1-2-4-8(7)15/h5-8,15H,1-4H2,(H,12,14)/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol has a molecular weight of 227.69 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(6-chloropyridazin-3-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 92981263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).