1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride

C18H27Cl2N5O4 — CID 13288281

IUPAC1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
SMILESCOc1ccc(OCC(O)CNC(C)(C)COc2ccc(NN)nn2)c(Cl)c1.Cl
InChIInChI=1S/C18H26ClN5O4.ClH/c1-18(2,11-28-17-7-6-16(22-20)23-24-17)21-9-12(25)10-27-15-5-4-13(26-3)8-14(15)19;/h4-8,12,21,25H,9-11,20H2,1-3H3,(H,22,23);1H
InChIKeyORGQVCNNIXFKPD-UHFFFAOYSA-N
MW448.35 g/mol
LogP2.03
Rot. Bonds11

About 1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride

1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride (PubChem CID 13288281) has the molecular formula C18H27Cl2N5O4 and a molecular weight of 448.35 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
PubChem CID13288281
Molecular FormulaC18H27Cl2N5O4
Molecular Weight448.35 g/mol
Exact Mass447.14
IUPAC Name1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
SMILESCOc1ccc(OCC(O)CNC(C)(C)COc2ccc(NN)nn2)c(Cl)c1.Cl
InChIInChI=1S/C18H26ClN5O4.ClH/c1-18(2,11-28-17-7-6-16(22-20)23-24-17)21-9-12(25)10-27-15-5-4-13(26-3)8-14(15)19;/h4-8,12,21,25H,9-11,20H2,1-3H3,(H,22,23);1H
InChIKeyORGQVCNNIXFKPD-UHFFFAOYSA-N
XLogP2.03
TPSA123.78 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 52.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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-(2-methoxyethyl)phenoxy]-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 70447903
1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-[3-(trifluoromethyl)phenoxy]propan-2-ol;hydrochloride
CID 13288277
1-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2-propylphenoxy)propan-2-ol
CID 10023248
1-[2-chloro-4-(2-methoxyethyl)phenoxy]-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol
CID 54292465
1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 13288296
1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(2,5-dichlorophenoxy)propan-2-ol
CID 10047785
1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol
CID 54084381
1-(2-chloro-5-methylphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)sulfanyl-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 70448151
4-chloro-2-[3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-2-hydroxypropoxy]benzonitrile
CID 10093021
1-(2-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 22640862
1-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]-3-(3-ethylphenoxy)propan-2-ol
CID 88688024
1-(2,5-dimethylphenoxy)-3-[[2-methyl-1-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-yl]amino]propan-2-ol
CID 54452826

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride (CID 13288281) is 1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride is COc1ccc(OCC(O)CNC(C)(C)COc2ccc(NN)nn2)c(Cl)c1.Cl.
What is the InChIKey of 1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride?
The InChIKey is ORGQVCNNIXFKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O4.ClH/c1-18(2,11-28-17-7-6-16(22-20)23-24-17)21-9-12(25)10-27-15-5-4-13(26-3)8-14(15)19;/h4-8,12,21,25H,9-11,20H2,1-3H3,(H,22,23);1H.
What are the key properties of 1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride?
1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride has a molecular weight of 448.35 g/mol, XLogP of 2.03, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 13288281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).