[(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide

C6H12N4O2 — CID 163753838

IUPAC[(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide
SMILESC[N-][NH+](C)C1CC(=NN)C(=O)O1
InChIInChI=1S/C6H12N4O2/c1-8-10(2)5-3-4(9-7)6(11)12-5/h5,10H,3,7H2,1-2H3
InChIKeyAQFHOLBNDDPESR-UHFFFAOYSA-N
MW172.19 g/mol
LogP-1.99
Rot. Bonds2

About [(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide

[(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide (PubChem CID 163753838) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is [(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide.

Molecular Properties

Compound Name[(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide
PubChem CID163753838
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name[(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide
SMILESC[N-][NH+](C)C1CC(=NN)C(=O)O1
InChIInChI=1S/C6H12N4O2/c1-8-10(2)5-3-4(9-7)6(11)12-5/h5,10H,3,7H2,1-2H3
InChIKeyAQFHOLBNDDPESR-UHFFFAOYSA-N
XLogP-1.99
TPSA83.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-Hydrazinylidene-5-oxooxolan-2-yl)-methylamino]-methylazanide
CID 163753839

Frequently Asked Questions

What is the IUPAC name of [(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide?
The IUPAC name of [(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide (CID 163753838) is [(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide.
What is the SMILES notation for [(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide?
The canonical SMILES for [(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide is C[N-][NH+](C)C1CC(=NN)C(=O)O1.
What is the InChIKey of [(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide?
The InChIKey is AQFHOLBNDDPESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-8-10(2)5-3-4(9-7)6(11)12-5/h5,10H,3,7H2,1-2H3.
What are the key properties of [(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide?
[(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide has a molecular weight of 172.19 g/mol, XLogP of -1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-hydrazinylidene-5-oxooxolan-2-yl)-methylazaniumyl]-methylazanide is sourced from PubChem (CID 163753838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).