(1E,3E)-1,4-diazidobuta-1,3-diene

C4H4N6 — CID 101095343

IUPAC(1E,3E)-1,4-diazidobuta-1,3-diene
SMILES[N-]=[N+]=N/C=C/C=C/N=[N+]=[N-]
InChIInChI=1S/C4H4N6/c5-9-7-3-1-2-4-8-10-6/h1-4H/b3-1+,4-2+
InChIKeyFOWYUXIFWJPESU-ZPUQHVIOSA-N
MW136.12 g/mol
LogP2.63
Rot. Bonds3

About (1E,3E)-1,4-diazidobuta-1,3-diene

(1E,3E)-1,4-diazidobuta-1,3-diene (PubChem CID 101095343) has the molecular formula C4H4N6 and a molecular weight of 136.12 g/mol. Its IUPAC name is (1E,3E)-1,4-diazidobuta-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1,4-diazidobuta-1,3-diene
PubChem CID101095343
Molecular FormulaC4H4N6
Molecular Weight136.12 g/mol
Exact Mass136.05
IUPAC Name(1E,3E)-1,4-diazidobuta-1,3-diene
SMILES[N-]=[N+]=N/C=C/C=C/N=[N+]=[N-]
InChIInChI=1S/C4H4N6/c5-9-7-3-1-2-4-8-10-6/h1-4H/b3-1+,4-2+
InChIKeyFOWYUXIFWJPESU-ZPUQHVIOSA-N
XLogP2.63
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.12
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1,4-diazidobuta-1,3-diene?
The IUPAC name of (1E,3E)-1,4-diazidobuta-1,3-diene (CID 101095343) is (1E,3E)-1,4-diazidobuta-1,3-diene.
What is the SMILES notation for (1E,3E)-1,4-diazidobuta-1,3-diene?
The canonical SMILES for (1E,3E)-1,4-diazidobuta-1,3-diene is [N-]=[N+]=N/C=C/C=C/N=[N+]=[N-].
What is the InChIKey of (1E,3E)-1,4-diazidobuta-1,3-diene?
The InChIKey is FOWYUXIFWJPESU-ZPUQHVIOSA-N. The full InChI is InChI=1S/C4H4N6/c5-9-7-3-1-2-4-8-10-6/h1-4H/b3-1+,4-2+.
What are the key properties of (1E,3E)-1,4-diazidobuta-1,3-diene?
(1E,3E)-1,4-diazidobuta-1,3-diene has a molecular weight of 136.12 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1,4-diazidobuta-1,3-diene is sourced from PubChem (CID 101095343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).