2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol

C19H22F3N3O2 — CID 156865327

IUPAC2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1c(N[C@@H]2CCCC[C@H]2O)nnc(-c2ccc(C(F)(F)F)cc2O)c1C
InChIInChI=1S/C19H22F3N3O2/c1-10-11(2)18(23-14-5-3-4-6-15(14)26)25-24-17(10)13-8-7-12(9-16(13)27)19(20,21)22/h7-9,14-15,26-27H,3-6H2,1-2H3,(H,23,25)/t14-,15-/m1/s1
InChIKeyZZWSXJAUWNSSBZ-HUUCEWRRSA-N
MW381.40 g/mol
LogP4.20
Rot. Bonds3

About 2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol

2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 156865327) has the molecular formula C19H22F3N3O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
PubChem CID156865327
Molecular FormulaC19H22F3N3O2
Molecular Weight381.40 g/mol
Exact Mass381.17
IUPAC Name2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1c(N[C@@H]2CCCC[C@H]2O)nnc(-c2ccc(C(F)(F)F)cc2O)c1C
InChIInChI=1S/C19H22F3N3O2/c1-10-11(2)18(23-14-5-3-4-6-15(14)26)25-24-17(10)13-8-7-12(9-16(13)27)19(20,21)22/h7-9,14-15,26-27H,3-6H2,1-2H3,(H,23,25)/t14-,15-/m1/s1
InChIKeyZZWSXJAUWNSSBZ-HUUCEWRRSA-N
XLogP4.20
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol with MolForge

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Related Compounds

(R)-2-(6-((1-Ethylpiperidin-3-yl)amino)pyridazin-3-yl)-3-methyl-5-(trifluoromethyl)phenol
CID 155284649
(2S)-3-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]propane-1,2-diol
CID 166456099
US11208399, Example 4
CID 155284580
US11208399, Example 47
CID 155284633
US11208399, Example 12
CID 155284666
US11208399, Example 6
CID 155284686
US11208399, Example 53
CID 155284733
US11208399, Example 36
CID 155284703
US11208399, Example 74
CID 155284717
US11208399, Example 17
CID 155284748
US11208399, Example 48
CID 155284639
Phenol, 2-(5-methyl-6-((2-(4-morpholinyl)ethyl)amino)-3-pyridazinyl)-, dihydrobromide
CID 135770314

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol (CID 156865327) is 2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol is Cc1c(N[C@@H]2CCCC[C@H]2O)nnc(-c2ccc(C(F)(F)F)cc2O)c1C.
What is the InChIKey of 2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The InChIKey is ZZWSXJAUWNSSBZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C19H22F3N3O2/c1-10-11(2)18(23-14-5-3-4-6-15(14)26)25-24-17(10)13-8-7-12(9-16(13)27)19(20,21)22/h7-9,14-15,26-27H,3-6H2,1-2H3,(H,23,25)/t14-,15-/m1/s1.
What are the key properties of 2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 381.40 g/mol, XLogP of 4.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1R,2R)-2-hydroxycyclohexyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 156865327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).