trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol

C12H18ClN3O — CID 156865350

IUPACtrans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol
SMILESCc1c(Cl)nnc(N[C@@H]2CCCC[C@H]2O)c1C
InChIInChI=1S/C12H18ClN3O/c1-7-8(2)12(16-15-11(7)13)14-9-5-3-4-6-10(9)17/h9-10,17H,3-6H2,1-2H3,(H,14,16)/t9-,10-/m1/s1
InChIKeyFOSJCSLFSZHPOJ-NXEZZACHSA-N
MW255.75 g/mol
LogP2.46
Rot. Bonds2

About trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol

trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol (PubChem CID 156865350) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol
PubChem CID156865350
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Nametrans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol
SMILESCc1c(Cl)nnc(N[C@@H]2CCCC[C@H]2O)c1C
InChIInChI=1S/C12H18ClN3O/c1-7-8(2)12(16-15-11(7)13)14-9-5-3-4-6-10(9)17/h9-10,17H,3-6H2,1-2H3,(H,14,16)/t9-,10-/m1/s1
InChIKeyFOSJCSLFSZHPOJ-NXEZZACHSA-N
XLogP2.46
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.46
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-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol (CID 156865350) is trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol is Cc1c(Cl)nnc(N[C@@H]2CCCC[C@H]2O)c1C.
What is the InChIKey of trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol?
The InChIKey is FOSJCSLFSZHPOJ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-7-8(2)12(16-15-11(7)13)14-9-5-3-4-6-10(9)17/h9-10,17H,3-6H2,1-2H3,(H,14,16)/t9-,10-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol?
trans-(1R,2R)-2-[(6-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol has a molecular weight of 255.75 g/mol, XLogP of 2.46, 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-chloro-4,5-dimethylpyridazin-3-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 156865350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).