3,4-diazidobutan-1-ol

C4H8N6O — CID 10103374

IUPAC3,4-diazidobutan-1-ol
SMILES[N-]=[N+]=NCC(CCO)N=[N+]=[N-]
InChIInChI=1S/C4H8N6O/c5-9-7-3-4(1-2-11)8-10-6/h4,11H,1-3H2
InChIKeyRXKVPESTYPKTJH-UHFFFAOYSA-N
MW156.15 g/mol
LogP1.36
Rot. Bonds5

About 3,4-diazidobutan-1-ol

3,4-diazidobutan-1-ol (PubChem CID 10103374) has the molecular formula C4H8N6O and a molecular weight of 156.15 g/mol. Its IUPAC name is 3,4-diazidobutan-1-ol.

Molecular Properties

Compound Name3,4-diazidobutan-1-ol
PubChem CID10103374
Molecular FormulaC4H8N6O
Molecular Weight156.15 g/mol
Exact Mass156.08
IUPAC Name3,4-diazidobutan-1-ol
SMILES[N-]=[N+]=NCC(CCO)N=[N+]=[N-]
InChIInChI=1S/C4H8N6O/c5-9-7-3-4(1-2-11)8-10-6/h4,11H,1-3H2
InChIKeyRXKVPESTYPKTJH-UHFFFAOYSA-N
XLogP1.36
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 3,4-diazidobutan-1-ol?
The IUPAC name of 3,4-diazidobutan-1-ol (CID 10103374) is 3,4-diazidobutan-1-ol.
What is the SMILES notation for 3,4-diazidobutan-1-ol?
The canonical SMILES for 3,4-diazidobutan-1-ol is [N-]=[N+]=NCC(CCO)N=[N+]=[N-].
What is the InChIKey of 3,4-diazidobutan-1-ol?
The InChIKey is RXKVPESTYPKTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6O/c5-9-7-3-4(1-2-11)8-10-6/h4,11H,1-3H2.
What are the key properties of 3,4-diazidobutan-1-ol?
3,4-diazidobutan-1-ol has a molecular weight of 156.15 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diazidobutan-1-ol is sourced from PubChem (CID 10103374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).