ethyl-[(methyldiazenyl)methyl]diazene

C4H10N4 — CID 59513145

IUPACethyl-[(methyldiazenyl)methyl]diazene
SMILESCC/N=N/C/N=N/C
InChIInChI=1S/C4H10N4/c1-3-6-8-4-7-5-2/h3-4H2,1-2H3/b7-5+,8-6+
InChIKeyKRLGLGADEKVBAZ-KQQUZDAGSA-N
MW114.15 g/mol
LogP1.50
Rot. Bonds3

About ethyl-[(methyldiazenyl)methyl]diazene

ethyl-[(methyldiazenyl)methyl]diazene (PubChem CID 59513145) has the molecular formula C4H10N4 and a molecular weight of 114.15 g/mol. Its IUPAC name is ethyl-[(methyldiazenyl)methyl]diazene.

Molecular Properties

Compound Nameethyl-[(methyldiazenyl)methyl]diazene
PubChem CID59513145
Molecular FormulaC4H10N4
Molecular Weight114.15 g/mol
Exact Mass114.09
IUPAC Nameethyl-[(methyldiazenyl)methyl]diazene
SMILESCC/N=N/C/N=N/C
InChIInChI=1S/C4H10N4/c1-3-6-8-4-7-5-2/h3-4H2,1-2H3/b7-5+,8-6+
InChIKeyKRLGLGADEKVBAZ-KQQUZDAGSA-N
XLogP1.50
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl-[(methyldiazenyl)methyl]diazene?
The IUPAC name of ethyl-[(methyldiazenyl)methyl]diazene (CID 59513145) is ethyl-[(methyldiazenyl)methyl]diazene.
What is the SMILES notation for ethyl-[(methyldiazenyl)methyl]diazene?
The canonical SMILES for ethyl-[(methyldiazenyl)methyl]diazene is CC/N=N/C/N=N/C.
What is the InChIKey of ethyl-[(methyldiazenyl)methyl]diazene?
The InChIKey is KRLGLGADEKVBAZ-KQQUZDAGSA-N. The full InChI is InChI=1S/C4H10N4/c1-3-6-8-4-7-5-2/h3-4H2,1-2H3/b7-5+,8-6+.
What are the key properties of ethyl-[(methyldiazenyl)methyl]diazene?
ethyl-[(methyldiazenyl)methyl]diazene has a molecular weight of 114.15 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(methyldiazenyl)methyl]diazene is sourced from PubChem (CID 59513145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).