1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane

C10H24N6O4 — CID 161343566

IUPAC1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane
SMILESC.C.[N-]=[N+]=NCC(O)COCCOCC(O)CN=[N+]=[N-]
InChIInChI=1S/C8H16N6O4.2CH4/c9-13-11-3-7(15)5-17-1-2-18-6-8(16)4-12-14-10;;/h7-8,15-16H,1-6H2;2*1H4
InChIKeyVMZPWYWSZHORKR-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.63
Rot. Bonds11

About 1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane

1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane (PubChem CID 161343566) has the molecular formula C10H24N6O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane.

Molecular Properties

Compound Name1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane
PubChem CID161343566
Molecular FormulaC10H24N6O4
Molecular Weight292.34 g/mol
Exact Mass292.19
IUPAC Name1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane
SMILESC.C.[N-]=[N+]=NCC(O)COCCOCC(O)CN=[N+]=[N-]
InChIInChI=1S/C8H16N6O4.2CH4/c9-13-11-3-7(15)5-17-1-2-18-6-8(16)4-12-14-10;;/h7-8,15-16H,1-6H2;2*1H4
InChIKeyVMZPWYWSZHORKR-UHFFFAOYSA-N
XLogP1.63
TPSA156.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane 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-azido-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991332
1-amino-3-azidopropan-2-ol
CID 150484023
1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol
CID 78066817
(3R)-4-azidobutane-1,3-diol
CID 130698557
5-azidopentane-1,2,4-triol
CID 90777098
(2S)-1-azido-4-methylpentan-2-ol
CID 99983319
1-azido-3-(4-methoxyphenoxy)propan-2-ol
CID 71340918
3-azidoprop-1-ene;1-(2-hydroperoxyethoxy)propan-2-ol;methane
CID 158924123
3-azidopropane-1,2-diol;[2-[1-azido-3-(2-trityloxyethoxy)propan-2-yl]oxyethoxy-diphenylmethyl]benzene
CID 160837570
1-azidohexan-2-ol
CID 11171039
1,3-bis[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-2-methylpropane
CID 175936797
ethyl 4-azido-3-hydroxybutanoate
CID 14685344

Frequently Asked Questions

What is the IUPAC name of 1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane?
The IUPAC name of 1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane (CID 161343566) is 1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane.
What is the SMILES notation for 1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane?
The canonical SMILES for 1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane is C.C.[N-]=[N+]=NCC(O)COCCOCC(O)CN=[N+]=[N-].
What is the InChIKey of 1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane?
The InChIKey is VMZPWYWSZHORKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6O4.2CH4/c9-13-11-3-7(15)5-17-1-2-18-6-8(16)4-12-14-10;;/h7-8,15-16H,1-6H2;2*1H4.
What are the key properties of 1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane?
1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane has a molecular weight of 292.34 g/mol, XLogP of 1.63, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azido-3-[2-(3-azido-2-hydroxypropoxy)ethoxy]propan-2-ol;methane is sourced from PubChem (CID 161343566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).