methyl N'-diazenylcarbamimidate

C2H6N4O — CID 135626895

IUPACmethyl N'-diazenylcarbamimidate
SMILES[H]/N=N/N=C(/N)OC
InChIInChI=1S/C2H6N4O/c1-7-2(3)5-6-4/h1H3,(H3,3,4,5)
InChIKeyWXROTRQEYLBQBK-UHFFFAOYSA-N
MW102.10 g/mol
LogP-0.11
Rot. Bonds1

About methyl N'-diazenylcarbamimidate

methyl N'-diazenylcarbamimidate (PubChem CID 135626895) has the molecular formula C2H6N4O and a molecular weight of 102.10 g/mol. Its IUPAC name is methyl N'-diazenylcarbamimidate.

Molecular Properties

Compound Namemethyl N'-diazenylcarbamimidate
PubChem CID135626895
Molecular FormulaC2H6N4O
Molecular Weight102.10 g/mol
Exact Mass102.05
IUPAC Namemethyl N'-diazenylcarbamimidate
SMILES[H]/N=N/N=C(/N)OC
InChIInChI=1S/C2H6N4O/c1-7-2(3)5-6-4/h1H3,(H3,3,4,5)
InChIKeyWXROTRQEYLBQBK-UHFFFAOYSA-N
XLogP-0.11
TPSA83.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.10
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 methyl N'-diazenylcarbamimidate?
The IUPAC name of methyl N'-diazenylcarbamimidate (CID 135626895) is methyl N'-diazenylcarbamimidate.
What is the SMILES notation for methyl N'-diazenylcarbamimidate?
The canonical SMILES for methyl N'-diazenylcarbamimidate is [H]/N=N/N=C(/N)OC.
What is the InChIKey of methyl N'-diazenylcarbamimidate?
The InChIKey is WXROTRQEYLBQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N4O/c1-7-2(3)5-6-4/h1H3,(H3,3,4,5).
What are the key properties of methyl N'-diazenylcarbamimidate?
methyl N'-diazenylcarbamimidate has a molecular weight of 102.10 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-diazenylcarbamimidate is sourced from PubChem (CID 135626895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).