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

C12H18ClN3O — CID 171545291

IUPACtrans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol
SMILESCc1cc(N[C@H]2CCCC[C@@]2(C)O)nnc1Cl
InChIInChI=1S/C12H18ClN3O/c1-8-7-10(15-16-11(8)13)14-9-5-3-4-6-12(9,2)17/h7,9,17H,3-6H2,1-2H3,(H,14,15)/t9-,12+/m0/s1
InChIKeyHSNGWKCADGKBAP-JOYOIKCWSA-N
MW255.75 g/mol
LogP2.54
Rot. Bonds2

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

trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol (PubChem CID 171545291) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol
PubChem CID171545291
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Nametrans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol
SMILESCc1cc(N[C@H]2CCCC[C@@]2(C)O)nnc1Cl
InChIInChI=1S/C12H18ClN3O/c1-8-7-10(15-16-11(8)13)14-9-5-3-4-6-12(9,2)17/h7,9,17H,3-6H2,1-2H3,(H,14,15)/t9-,12+/m0/s1
InChIKeyHSNGWKCADGKBAP-JOYOIKCWSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol (CID 171545291) is trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol is Cc1cc(N[C@H]2CCCC[C@@]2(C)O)nnc1Cl.
What is the InChIKey of trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol?
The InChIKey is HSNGWKCADGKBAP-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-8-7-10(15-16-11(8)13)14-9-5-3-4-6-12(9,2)17/h7,9,17H,3-6H2,1-2H3,(H,14,15)/t9-,12+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol?
trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol has a molecular weight of 255.75 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[(6-chloro-5-methylpyridazin-3-yl)amino]-1-methylcyclohexan-1-ol is sourced from PubChem (CID 171545291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).