1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride

C18H25ClF3N5O3 — CID 13288277

IUPAC1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride
SMILESCC(C)(COc1ccc(NN)nn1)NCC(O)COc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H24F3N5O3.ClH/c1-17(2,11-29-16-7-6-15(24-22)25-26-16)23-9-13(27)10-28-14-5-3-4-12(8-14)18(19,20)21;/h3-8,13,23,27H,9-11,22H2,1-2H3,(H,24,25);1H
InChIKeyXPKURZDXLZPYGH-UHFFFAOYSA-N
MW451.88 g/mol
LogP2.39
Rot. Bonds10

About 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride

1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride (PubChem CID 13288277) has the molecular formula C18H25ClF3N5O3 and a molecular weight of 451.88 g/mol. Its IUPAC name is 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride
PubChem CID13288277
Molecular FormulaC18H25ClF3N5O3
Molecular Weight451.88 g/mol
Exact Mass451.16
IUPAC Name1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride
SMILESCC(C)(COc1ccc(NN)nn1)NCC(O)COc1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H24F3N5O3.ClH/c1-17(2,11-29-16-7-6-15(24-22)25-26-16)23-9-13(27)10-28-14-5-3-4-12(8-14)18(19,20)21;/h3-8,13,23,27H,9-11,22H2,1-2H3,(H,24,25);1H
InChIKeyXPKURZDXLZPYGH-UHFFFAOYSA-N
XLogP2.39
TPSA114.55 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.88
LogP ≤ 52.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 13288281
1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol
CID 10023248
1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(3-ethylphenoxy)propan-2-ol
CID 88688024
1-[2-chloro-4-(2-methoxyethyl)phenoxy]-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 70447903
1-(pyridin-2-ylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 133274208
1-(propylamino)-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 43166208
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpropanamide;hydrochloride
CID 119304963
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-2-methylpentanamide;hydrochloride
CID 119751688
1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol
CID 54084381
4-methyl-1-[3-(trifluoromethyl)phenoxy]pentan-2-ol
CID 117241710
1-[(1-methoxy-2-methylpropan-2-yl)amino]-3-(3-methylphenoxy)propan-2-ol
CID 115609480

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride?
The IUPAC name of 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride (CID 13288277) is 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride?
The canonical SMILES for 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride is CC(C)(COc1ccc(NN)nn1)NCC(O)COc1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride?
The InChIKey is XPKURZDXLZPYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5O3.ClH/c1-17(2,11-29-16-7-6-15(24-22)25-26-16)23-9-13(27)10-28-14-5-3-4-12(8-14)18(19,20)21;/h3-8,13,23,27H,9-11,22H2,1-2H3,(H,24,25);1H.
What are the key properties of 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride?
1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride has a molecular weight of 451.88 g/mol, XLogP of 2.39, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride is sourced from PubChem (CID 13288277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).