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

C16H18F3N3O2 — CID 156865337

IUPAC2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1c(NC[C@@H](C)O)nnc(-c2ccc(C(F)(F)F)cc2O)c1C
InChIInChI=1S/C16H18F3N3O2/c1-8(23)7-20-15-10(3)9(2)14(21-22-15)12-5-4-11(6-13(12)24)16(17,18)19/h4-6,8,23-24H,7H2,1-3H3,(H,20,22)/t8-/m1/s1
InChIKeyRZLYRZBMFBEOAV-MRVPVSSYSA-N
MW341.33 g/mol
LogP3.28
Rot. Bonds4

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

2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol (PubChem CID 156865337) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
PubChem CID156865337
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol
SMILESCc1c(NC[C@@H](C)O)nnc(-c2ccc(C(F)(F)F)cc2O)c1C
InChIInChI=1S/C16H18F3N3O2/c1-8(23)7-20-15-10(3)9(2)14(21-22-15)12-5-4-11(6-13(12)24)16(17,18)19/h4-6,8,23-24H,7H2,1-3H3,(H,20,22)/t8-/m1/s1
InChIKeyRZLYRZBMFBEOAV-MRVPVSSYSA-N
XLogP3.28
TPSA78.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The IUPAC name of 2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol (CID 156865337) is 2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol is Cc1c(NC[C@@H](C)O)nnc(-c2ccc(C(F)(F)F)cc2O)c1C.
What is the InChIKey of 2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
The InChIKey is RZLYRZBMFBEOAV-MRVPVSSYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-8(23)7-20-15-10(3)9(2)14(21-22-15)12-5-4-11(6-13(12)24)16(17,18)19/h4-6,8,23-24H,7H2,1-3H3,(H,20,22)/t8-/m1/s1.
What are the key properties of 2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol?
2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol has a molecular weight of 341.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[(2R)-2-hydroxypropyl]amino]-4,5-dimethylpyridazin-3-yl]-5-(trifluoromethyl)phenol is sourced from PubChem (CID 156865337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).