5-azidopentane-1,2,4-triol

C5H11N3O3 — CID 90777098

IUPAC5-azidopentane-1,2,4-triol
SMILES[N-]=[N+]=NCC(O)CC(O)CO
InChIInChI=1S/C5H11N3O3/c6-8-7-2-4(10)1-5(11)3-9/h4-5,9-11H,1-3H2
InChIKeyBOZMXLQQBFYDJG-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.60
Rot. Bonds5

About 5-azidopentane-1,2,4-triol

5-azidopentane-1,2,4-triol (PubChem CID 90777098) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 5-azidopentane-1,2,4-triol.

Molecular Properties

Compound Name5-azidopentane-1,2,4-triol
PubChem CID90777098
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name5-azidopentane-1,2,4-triol
SMILES[N-]=[N+]=NCC(O)CC(O)CO
InChIInChI=1S/C5H11N3O3/c6-8-7-2-4(10)1-5(11)3-9/h4-5,9-11H,1-3H2
InChIKeyBOZMXLQQBFYDJG-UHFFFAOYSA-N
XLogP-0.60
TPSA109.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

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Related Compounds

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CID 150484023
(2S)-5-azidopentane-1,2-diol
CID 22854627
(2S)-4-azidopentane-1,2,5-triol
CID 11829740
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CID 11171039
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4-(azidomethyl)-2,2-dimethyl-1,3-dioxolane;3-azidopropane-1,2-diol
CID 159544963
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CID 101111843
(1R)-2-azido-1-cyclopentylethanol
CID 83093623
(2S)-2-(aminodiazenyl)-3-azidopropan-1-ol
CID 118228860
3-azido-2-hydroxypropanenitrile
CID 66429652

Frequently Asked Questions

What is the IUPAC name of 5-azidopentane-1,2,4-triol?
The IUPAC name of 5-azidopentane-1,2,4-triol (CID 90777098) is 5-azidopentane-1,2,4-triol.
What is the SMILES notation for 5-azidopentane-1,2,4-triol?
The canonical SMILES for 5-azidopentane-1,2,4-triol is [N-]=[N+]=NCC(O)CC(O)CO.
What is the InChIKey of 5-azidopentane-1,2,4-triol?
The InChIKey is BOZMXLQQBFYDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c6-8-7-2-4(10)1-5(11)3-9/h4-5,9-11H,1-3H2.
What are the key properties of 5-azidopentane-1,2,4-triol?
5-azidopentane-1,2,4-triol has a molecular weight of 161.16 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azidopentane-1,2,4-triol is sourced from PubChem (CID 90777098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).