1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol

C13H23N5O2 — CID 56606734

IUPAC1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol
SMILESCC(C)/N=N/c1ccc(OCC(O)CNC(C)C)nn1
InChIInChI=1S/C13H23N5O2/c1-9(2)14-7-11(19)8-20-13-6-5-12(17-18-13)16-15-10(3)4/h5-6,9-11,14,19H,7-8H2,1-4H3/b16-15+
InChIKeyMCHDMFBEVJALCS-FOCLMDBBSA-N
MW281.36 g/mol
LogP1.71
Rot. Bonds8

About 1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol

1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol (PubChem CID 56606734) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol.

Molecular Properties

Compound Name1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol
PubChem CID56606734
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol
SMILESCC(C)/N=N/c1ccc(OCC(O)CNC(C)C)nn1
InChIInChI=1S/C13H23N5O2/c1-9(2)14-7-11(19)8-20-13-6-5-12(17-18-13)16-15-10(3)4/h5-6,9-11,14,19H,7-8H2,1-4H3/b16-15+
InChIKeyMCHDMFBEVJALCS-FOCLMDBBSA-N
XLogP1.71
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-chloropyridazin-3-yl)oxy-3-(propan-2-ylamino)propan-2-ol
CID 10014778
1-(2,5-dimethylphenoxy)-3-[[2-methyl-1-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-yl]amino]propan-2-ol
CID 54452826
1-[[2-methyl-1-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-yl]amino]-3-[2-(trifluoromethyl)phenoxy]propan-2-ol
CID 54381109
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
2-[[6-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-pyridinyl]oxy]ethyl nitrate
CID 13376622
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817

Frequently Asked Questions

What is the IUPAC name of 1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol?
The IUPAC name of 1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol (CID 56606734) is 1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol.
What is the SMILES notation for 1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol?
The canonical SMILES for 1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol is CC(C)/N=N/c1ccc(OCC(O)CNC(C)C)nn1.
What is the InChIKey of 1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol?
The InChIKey is MCHDMFBEVJALCS-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-9(2)14-7-11(19)8-20-13-6-5-12(17-18-13)16-15-10(3)4/h5-6,9-11,14,19H,7-8H2,1-4H3/b16-15+.
What are the key properties of 1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol?
1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol has a molecular weight of 281.36 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propan-2-ylamino)-3-[6-(propan-2-yldiazenyl)pyridazin-3-yl]oxypropan-2-ol is sourced from PubChem (CID 56606734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).