2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol

C18H20F3N3O2 — CID 155284534

IUPAC2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCC[C@H](O)C2)nn1
InChIInChI=1S/C18H20F3N3O2/c1-10-7-11(18(19,20)21)8-15(26)17(10)14-5-6-16(24-23-14)22-12-3-2-4-13(25)9-12/h5-8,12-13,25-26H,2-4,9H2,1H3,(H,22,24)/t12-,13+/m1/s1
InChIKeyQUUIPPFTSZOOFW-OLZOCXBDSA-N
MW367.37 g/mol
LogP3.89
Rot. Bonds3

About 2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol

2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol (PubChem CID 155284534) has the molecular formula C18H20F3N3O2 and a molecular weight of 367.37 g/mol. Its IUPAC name is 2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
PubChem CID155284534
Molecular FormulaC18H20F3N3O2
Molecular Weight367.37 g/mol
Exact Mass367.15
IUPAC Name2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
SMILESCc1cc(C(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCC[C@H](O)C2)nn1
InChIInChI=1S/C18H20F3N3O2/c1-10-7-11(18(19,20)21)8-15(26)17(10)14-5-6-16(24-23-14)22-12-3-2-4-13(25)9-12/h5-8,12-13,25-26H,2-4,9H2,1H3,(H,22,24)/t12-,13+/m1/s1
InChIKeyQUUIPPFTSZOOFW-OLZOCXBDSA-N
XLogP3.89
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-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
3-[6-[Methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]naphthalen-2-ol
CID 136253058
US11208399, Example 36
CID 155284703
US11208399, Example 74
CID 155284717
US11208399, Example 17
CID 155284748
US11208399, Example 48
CID 155284639

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol (CID 155284534) is 2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol is Cc1cc(C(F)(F)F)cc(O)c1-c1ccc(N[C@@H]2CCC[C@H](O)C2)nn1.
What is the InChIKey of 2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
The InChIKey is QUUIPPFTSZOOFW-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H20F3N3O2/c1-10-7-11(18(19,20)21)8-15(26)17(10)14-5-6-16(24-23-14)22-12-3-2-4-13(25)9-12/h5-8,12-13,25-26H,2-4,9H2,1H3,(H,22,24)/t12-,13+/m1/s1.
What are the key properties of 2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol?
2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol has a molecular weight of 367.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(1R,3S)-3-hydroxycyclohexyl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 155284534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).