1,3-diazidopropan-1-ol

C3H6N6O — CID 19391765

IUPAC1,3-diazidopropan-1-ol
SMILES[N-]=[N+]=NCCC(O)N=[N+]=[N-]
InChIInChI=1S/C3H6N6O/c4-8-6-2-1-3(10)7-9-5/h3,10H,1-2H2
InChIKeyIPCAYCOPJDQMJA-UHFFFAOYSA-N
MW142.12 g/mol
LogP1.32
Rot. Bonds4

About 1,3-diazidopropan-1-ol

1,3-diazidopropan-1-ol (PubChem CID 19391765) has the molecular formula C3H6N6O and a molecular weight of 142.12 g/mol. Its IUPAC name is 1,3-diazidopropan-1-ol.

Molecular Properties

Compound Name1,3-diazidopropan-1-ol
PubChem CID19391765
Molecular FormulaC3H6N6O
Molecular Weight142.12 g/mol
Exact Mass142.06
IUPAC Name1,3-diazidopropan-1-ol
SMILES[N-]=[N+]=NCCC(O)N=[N+]=[N-]
InChIInChI=1S/C3H6N6O/c4-8-6-2-1-3(10)7-9-5/h3,10H,1-2H2
InChIKeyIPCAYCOPJDQMJA-UHFFFAOYSA-N
XLogP1.32
TPSA117.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.32
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 1,3-diazidopropan-1-ol?
The IUPAC name of 1,3-diazidopropan-1-ol (CID 19391765) is 1,3-diazidopropan-1-ol.
What is the SMILES notation for 1,3-diazidopropan-1-ol?
The canonical SMILES for 1,3-diazidopropan-1-ol is [N-]=[N+]=NCCC(O)N=[N+]=[N-].
What is the InChIKey of 1,3-diazidopropan-1-ol?
The InChIKey is IPCAYCOPJDQMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N6O/c4-8-6-2-1-3(10)7-9-5/h3,10H,1-2H2.
What are the key properties of 1,3-diazidopropan-1-ol?
1,3-diazidopropan-1-ol has a molecular weight of 142.12 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diazidopropan-1-ol is sourced from PubChem (CID 19391765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).