(1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene

C6H11N3 — CID 145157850

IUPAC(1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene
SMILESC/C=C\C=C/C=N/NN
InChIInChI=1S/C6H11N3/c1-2-3-4-5-6-8-9-7/h2-6,9H,7H2,1H3/b3-2-,5-4-,8-6+
InChIKeyHWOAIOSGMWTWTO-FKPAUSHJSA-N
MW125.17 g/mol
LogP0.57
Rot. Bonds3

About (1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene

(1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene (PubChem CID 145157850) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is (1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene.

Molecular Properties

Compound Name(1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene
PubChem CID145157850
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name(1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene
SMILESC/C=C\C=C/C=N/NN
InChIInChI=1S/C6H11N3/c1-2-3-4-5-6-8-9-7/h2-6,9H,7H2,1H3/b3-2-,5-4-,8-6+
InChIKeyHWOAIOSGMWTWTO-FKPAUSHJSA-N
XLogP0.57
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 (1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene?
The IUPAC name of (1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene (CID 145157850) is (1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene.
What is the SMILES notation for (1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene?
The canonical SMILES for (1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene is C/C=C\C=C/C=N/NN.
What is the InChIKey of (1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene?
The InChIKey is HWOAIOSGMWTWTO-FKPAUSHJSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-3-4-5-6-8-9-7/h2-6,9H,7H2,1H3/b3-2-,5-4-,8-6+.
What are the key properties of (1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene?
(1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene has a molecular weight of 125.17 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,2Z,4Z)-1-(aminohydrazinylidene)hexa-2,4-diene is sourced from PubChem (CID 145157850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).