[(3Z)-hexa-3,5-dien-2-yl]diazene

C6H10N2 — CID 91413491

IUPAC[(3Z)-hexa-3,5-dien-2-yl]diazene
SMILES[H]/N=N/C(C)/C=C\C=C
InChIInChI=1S/C6H10N2/c1-3-4-5-6(2)8-7/h3-7H,1H2,2H3/b5-4-,8-7+
InChIKeyHXNLFQGTJVEMIA-KXKKYDSASA-N
MW110.16 g/mol
LogP2.15
Rot. Bonds3

About [(3Z)-hexa-3,5-dien-2-yl]diazene

[(3Z)-hexa-3,5-dien-2-yl]diazene (PubChem CID 91413491) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is [(3Z)-hexa-3,5-dien-2-yl]diazene.

Molecular Properties

Compound Name[(3Z)-hexa-3,5-dien-2-yl]diazene
PubChem CID91413491
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name[(3Z)-hexa-3,5-dien-2-yl]diazene
SMILES[H]/N=N/C(C)/C=C\C=C
InChIInChI=1S/C6H10N2/c1-3-4-5-6(2)8-7/h3-7H,1H2,2H3/b5-4-,8-7+
InChIKeyHXNLFQGTJVEMIA-KXKKYDSASA-N
XLogP2.15
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 52.15
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': 'polyene', 'substructure': 'N/A'}

Analyze [(3Z)-hexa-3,5-dien-2-yl]diazene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3Z)-hexa-3,5-dien-2-yl]diazene?
The IUPAC name of [(3Z)-hexa-3,5-dien-2-yl]diazene (CID 91413491) is [(3Z)-hexa-3,5-dien-2-yl]diazene.
What is the SMILES notation for [(3Z)-hexa-3,5-dien-2-yl]diazene?
The canonical SMILES for [(3Z)-hexa-3,5-dien-2-yl]diazene is [H]/N=N/C(C)/C=C\C=C.
What is the InChIKey of [(3Z)-hexa-3,5-dien-2-yl]diazene?
The InChIKey is HXNLFQGTJVEMIA-KXKKYDSASA-N. The full InChI is InChI=1S/C6H10N2/c1-3-4-5-6(2)8-7/h3-7H,1H2,2H3/b5-4-,8-7+.
What are the key properties of [(3Z)-hexa-3,5-dien-2-yl]diazene?
[(3Z)-hexa-3,5-dien-2-yl]diazene has a molecular weight of 110.16 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-hexa-3,5-dien-2-yl]diazene is sourced from PubChem (CID 91413491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).