cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol

C11H16ClN3O — CID 171545285

IUPACcis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol
SMILESCc1cc(N[C@H]2CCCC[C@H]2O)nnc1Cl
InChIInChI=1S/C11H16ClN3O/c1-7-6-10(14-15-11(7)12)13-8-4-2-3-5-9(8)16/h6,8-9,16H,2-5H2,1H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyIUWGHRIGKPRXTK-DTWKUNHWSA-N
MW241.72 g/mol
LogP2.15
Rot. Bonds2

About cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol

cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol (PubChem CID 171545285) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol
PubChem CID171545285
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Namecis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol
SMILESCc1cc(N[C@H]2CCCC[C@H]2O)nnc1Cl
InChIInChI=1S/C11H16ClN3O/c1-7-6-10(14-15-11(7)12)13-8-4-2-3-5-9(8)16/h6,8-9,16H,2-5H2,1H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyIUWGHRIGKPRXTK-DTWKUNHWSA-N
XLogP2.15
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol?
The IUPAC name of cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol (CID 171545285) is cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol is Cc1cc(N[C@H]2CCCC[C@H]2O)nnc1Cl.
What is the InChIKey of cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol?
The InChIKey is IUWGHRIGKPRXTK-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7-6-10(14-15-11(7)12)13-8-4-2-3-5-9(8)16/h6,8-9,16H,2-5H2,1H3,(H,13,14)/t8-,9+/m0/s1.
What are the key properties of cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol?
cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol has a molecular weight of 241.72 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 171545285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).