buta-1,3-dien-2-yldiazene

C4H6N2 — CID 142074109

IUPACbuta-1,3-dien-2-yldiazene
SMILES[H]/N=N/C(=C)C=C
InChIInChI=1S/C4H6N2/c1-3-4(2)6-5/h3,5H,1-2H2/b6-5+
InChIKeyCWKZPGUXQSVSJE-AATRIKPKSA-N
MW82.11 g/mol
LogP1.72
Rot. Bonds2

About buta-1,3-dien-2-yldiazene

buta-1,3-dien-2-yldiazene (PubChem CID 142074109) has the molecular formula C4H6N2 and a molecular weight of 82.11 g/mol. Its IUPAC name is buta-1,3-dien-2-yldiazene.

Molecular Properties

Compound Namebuta-1,3-dien-2-yldiazene
PubChem CID142074109
Molecular FormulaC4H6N2
Molecular Weight82.11 g/mol
Exact Mass82.05
IUPAC Namebuta-1,3-dien-2-yldiazene
SMILES[H]/N=N/C(=C)C=C
InChIInChI=1S/C4H6N2/c1-3-4(2)6-5/h3,5H,1-2H2/b6-5+
InChIKeyCWKZPGUXQSVSJE-AATRIKPKSA-N
XLogP1.72
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.11
LogP ≤ 51.72
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'}

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Frequently Asked Questions

What is the IUPAC name of buta-1,3-dien-2-yldiazene?
The IUPAC name of buta-1,3-dien-2-yldiazene (CID 142074109) is buta-1,3-dien-2-yldiazene.
What is the SMILES notation for buta-1,3-dien-2-yldiazene?
The canonical SMILES for buta-1,3-dien-2-yldiazene is [H]/N=N/C(=C)C=C.
What is the InChIKey of buta-1,3-dien-2-yldiazene?
The InChIKey is CWKZPGUXQSVSJE-AATRIKPKSA-N. The full InChI is InChI=1S/C4H6N2/c1-3-4(2)6-5/h3,5H,1-2H2/b6-5+.
What are the key properties of buta-1,3-dien-2-yldiazene?
buta-1,3-dien-2-yldiazene has a molecular weight of 82.11 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dien-2-yldiazene is sourced from PubChem (CID 142074109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).