1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol

C14H25N3O2 — CID 106895709

IUPAC1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol
SMILESCCCCCCOCC(O)CNCc1cccnn1
InChIInChI=1S/C14H25N3O2/c1-2-3-4-5-9-19-12-14(18)11-15-10-13-7-6-8-16-17-13/h6-8,14-15,18H,2-5,9-12H2,1H3
InChIKeyONAOHXMMRZHLNY-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.52
Rot. Bonds11

About 1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol

1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol (PubChem CID 106895709) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol
PubChem CID106895709
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol
SMILESCCCCCCOCC(O)CNCc1cccnn1
InChIInChI=1S/C14H25N3O2/c1-2-3-4-5-9-19-12-14(18)11-15-10-13-7-6-8-16-17-13/h6-8,14-15,18H,2-5,9-12H2,1H3
InChIKeyONAOHXMMRZHLNY-UHFFFAOYSA-N
XLogP1.52
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hexoxy-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633804
1-hexoxy-3-(pyridin-4-ylmethylamino)propan-2-ol
CID 60633945
1-(4-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895894
1-hexoxy-3-[[3-(hydroxymethyl)phenyl]methylamino]propan-2-ol
CID 107230499
1-(3-ethylphenoxy)-3-(pyridazin-3-ylmethylamino)propan-2-ol
CID 106895704
1-[(5-methylthiophen-2-yl)methylamino]-3-octoxypropan-2-ol
CID 60969907
1-(2-butoxyethoxy)-3-[(2-methylpyrimidin-4-yl)methylamino]propan-2-ol
CID 60970855
1-butoxy-3-[[3-[[(3-butoxy-2-hydroxypropyl)amino]methyl]phenyl]methylamino]propan-2-ol
CID 101292349
1-butoxy-3-[(4-ethylphenyl)methylamino]propan-2-ol
CID 107263166
1-(4-methylpentoxy)-3-(pyridin-2-ylmethylamino)propan-2-ol
CID 60633849
1-hexoxy-3-[(6-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 62990978
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334

Frequently Asked Questions

What is the IUPAC name of 1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol (CID 106895709) is 1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol is CCCCCCOCC(O)CNCc1cccnn1.
What is the InChIKey of 1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol?
The InChIKey is ONAOHXMMRZHLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-3-4-5-9-19-12-14(18)11-15-10-13-7-6-8-16-17-13/h6-8,14-15,18H,2-5,9-12H2,1H3.
What are the key properties of 1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol?
1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.52, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexoxy-3-(pyridazin-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 106895709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).