(3Z)-2-(aminodiazenyl)hexa-1,3-diene

C6H11N3 — CID 129253209

IUPAC(3Z)-2-(aminodiazenyl)hexa-1,3-diene
SMILESC=C(/C=C\CC)/N=N/N
InChIInChI=1S/C6H11N3/c1-3-4-5-6(2)8-9-7/h4-5H,2-3H2,1H3,(H2,7,8)/b5-4-
InChIKeySDGQCEHNONLADJ-PLNGDYQASA-N
MW125.17 g/mol
LogP1.79
Rot. Bonds3

About (3Z)-2-(aminodiazenyl)hexa-1,3-diene

(3Z)-2-(aminodiazenyl)hexa-1,3-diene (PubChem CID 129253209) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (3Z)-2-(aminodiazenyl)hexa-1,3-diene.

Molecular Properties

Compound Name(3Z)-2-(aminodiazenyl)hexa-1,3-diene
PubChem CID129253209
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(3Z)-2-(aminodiazenyl)hexa-1,3-diene
SMILESC=C(/C=C\CC)/N=N/N
InChIInChI=1S/C6H11N3/c1-3-4-5-6(2)8-9-7/h4-5H,2-3H2,1H3,(H2,7,8)/b5-4-
InChIKeySDGQCEHNONLADJ-PLNGDYQASA-N
XLogP1.79
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-(aminodiazenyl)hexa-1,3-diene?
The IUPAC name of (3Z)-2-(aminodiazenyl)hexa-1,3-diene (CID 129253209) is (3Z)-2-(aminodiazenyl)hexa-1,3-diene.
What is the SMILES notation for (3Z)-2-(aminodiazenyl)hexa-1,3-diene?
The canonical SMILES for (3Z)-2-(aminodiazenyl)hexa-1,3-diene is C=C(/C=C\CC)/N=N/N.
What is the InChIKey of (3Z)-2-(aminodiazenyl)hexa-1,3-diene?
The InChIKey is SDGQCEHNONLADJ-PLNGDYQASA-N. The full InChI is InChI=1S/C6H11N3/c1-3-4-5-6(2)8-9-7/h4-5H,2-3H2,1H3,(H2,7,8)/b5-4-.
What are the key properties of (3Z)-2-(aminodiazenyl)hexa-1,3-diene?
(3Z)-2-(aminodiazenyl)hexa-1,3-diene has a molecular weight of 125.17 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-(aminodiazenyl)hexa-1,3-diene is sourced from PubChem (CID 129253209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).