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

C17H26Cl2N6O2 — CID 13288296

IUPAC1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
SMILESCC(C)(CNc1ccc(NN)nn1)NCC(O)COc1ccccc1Cl.Cl
InChIInChI=1S/C17H25ClN6O2.ClH/c1-17(2,11-20-15-7-8-16(22-19)24-23-15)21-9-12(25)10-26-14-6-4-3-5-13(14)18;/h3-8,12,21,25H,9-11,19H2,1-2H3,(H,20,23)(H,22,24);1H
InChIKeyNAFLUCPNJWJTEV-UHFFFAOYSA-N
MW417.34 g/mol
LogP2.06
Rot. Bonds10

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

1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride (PubChem CID 13288296) has the molecular formula C17H26Cl2N6O2 and a molecular weight of 417.34 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
PubChem CID13288296
Molecular FormulaC17H26Cl2N6O2
Molecular Weight417.34 g/mol
Exact Mass416.15
IUPAC Name1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
SMILESCC(C)(CNc1ccc(NN)nn1)NCC(O)COc1ccccc1Cl.Cl
InChIInChI=1S/C17H25ClN6O2.ClH/c1-17(2,11-20-15-7-8-16(22-19)24-23-15)21-9-12(25)10-26-14-6-4-3-5-13(14)18;/h3-8,12,21,25H,9-11,19H2,1-2H3,(H,20,23)(H,22,24);1H
InChIKeyNAFLUCPNJWJTEV-UHFFFAOYSA-N
XLogP2.06
TPSA117.35 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.34
LogP ≤ 52.06
H-Bond Donors ≤ 55
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-(2-chloro-5-methylphenoxy)-3-[[1-(6-hydrazinylpyridazin-3-yl)sulfanyl-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 70448151
N-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethyl]-N-(6-hydrazinylpyridazin-3-yl)oxyacetamide
CID 88659484
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-hydrazinylpyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 70447903
1-(2-chlorophenoxy)-3-[[1-(4-methoxyphenyl)-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride
CID 22640862
3-[2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methylpropoxy]-1H-pyridazine-6-thione
CID 10000057
1-(3-chloro-2-methylphenoxy)-3-[[1-(6-chloropyridazin-3-yl)oxy-2-methylpropan-2-yl]amino]propan-2-ol
CID 54084381
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-ethylbutan-1-ol
CID 62517973
(2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol
CID 51699355
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-2-methyl-3-methylsulfanylpropan-2-ol
CID 106247148
1-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]-3-(dimethylamino)-2-methylpropan-2-ol
CID 106147644

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride?
The IUPAC name of 1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride (CID 13288296) is 1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride?
The canonical SMILES for 1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride is CC(C)(CNc1ccc(NN)nn1)NCC(O)COc1ccccc1Cl.Cl.
What is the InChIKey of 1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride?
The InChIKey is NAFLUCPNJWJTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN6O2.ClH/c1-17(2,11-20-15-7-8-16(22-19)24-23-15)21-9-12(25)10-26-14-6-4-3-5-13(14)18;/h3-8,12,21,25H,9-11,19H2,1-2H3,(H,20,23)(H,22,24);1H.
What are the key properties of 1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride?
1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride has a molecular weight of 417.34 g/mol, XLogP of 2.06, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-3-[[1-[(6-hydrazinylpyridazin-3-yl)amino]-2-methylpropan-2-yl]amino]propan-2-ol;hydrochloride is sourced from PubChem (CID 13288296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).