4-diazenylbut-3-en-2-ylhydrazine

C4H10N4 — CID 90890245

IUPAC4-diazenylbut-3-en-2-ylhydrazine
SMILES[H]/N=N/C=CC(C)NN
InChIInChI=1S/C4H10N4/c1-4(8-6)2-3-7-5/h2-5,8H,6H2,1H3/b3-2?,7-5+
InChIKeyTWZPLMRMDWSCLG-DQQSPVMKSA-N
MW114.15 g/mol
LogP0.38
Rot. Bonds3

About 4-diazenylbut-3-en-2-ylhydrazine

4-diazenylbut-3-en-2-ylhydrazine (PubChem CID 90890245) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is 4-diazenylbut-3-en-2-ylhydrazine.

Molecular Properties

Compound Name4-diazenylbut-3-en-2-ylhydrazine
PubChem CID90890245
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC Name4-diazenylbut-3-en-2-ylhydrazine
SMILES[H]/N=N/C=CC(C)NN
InChIInChI=1S/C4H10N4/c1-4(8-6)2-3-7-5/h2-5,8H,6H2,1H3/b3-2?,7-5+
InChIKeyTWZPLMRMDWSCLG-DQQSPVMKSA-N
XLogP0.38
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of 4-diazenylbut-3-en-2-ylhydrazine?
The IUPAC name of 4-diazenylbut-3-en-2-ylhydrazine (CID 90890245) is 4-diazenylbut-3-en-2-ylhydrazine.
What is the SMILES notation for 4-diazenylbut-3-en-2-ylhydrazine?
The canonical SMILES for 4-diazenylbut-3-en-2-ylhydrazine is [H]/N=N/C=CC(C)NN.
What is the InChIKey of 4-diazenylbut-3-en-2-ylhydrazine?
The InChIKey is TWZPLMRMDWSCLG-DQQSPVMKSA-N. The full InChI is InChI=1S/C4H10N4/c1-4(8-6)2-3-7-5/h2-5,8H,6H2,1H3/b3-2?,7-5+.
What are the key properties of 4-diazenylbut-3-en-2-ylhydrazine?
4-diazenylbut-3-en-2-ylhydrazine has a molecular weight of 114.15 g/mol, XLogP of 0.38, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazenylbut-3-en-2-ylhydrazine is sourced from PubChem (CID 90890245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).