1-aminooxyimino-3-hydrazinylideneurea

CH4N6O2 — CID 126517110

IUPAC1-aminooxyimino-3-hydrazinylideneurea
SMILESNN=NC(=O)N=NON
InChIInChI=1S/CH4N6O2/c2-6-4-1(8)5-7-9-3/h3H2,(H2,2,4,8)
InChIKeyDWBQFGRDRVUTBE-UHFFFAOYSA-N
MW132.08 g/mol
LogP-0.31
Rot. Bonds1

About 1-aminooxyimino-3-hydrazinylideneurea

1-aminooxyimino-3-hydrazinylideneurea (PubChem CID 126517110) has the molecular formula CH4N6O2 and a molecular weight of 132.08 g/mol. Its IUPAC name is 1-aminooxyimino-3-hydrazinylideneurea.

Molecular Properties

Compound Name1-aminooxyimino-3-hydrazinylideneurea
PubChem CID126517110
Molecular FormulaCH4N6O2
Molecular Weight132.08 g/mol
Exact Mass132.04
IUPAC Name1-aminooxyimino-3-hydrazinylideneurea
SMILESNN=NC(=O)N=NON
InChIInChI=1S/CH4N6O2/c2-6-4-1(8)5-7-9-3/h3H2,(H2,2,4,8)
InChIKeyDWBQFGRDRVUTBE-UHFFFAOYSA-N
XLogP-0.31
TPSA127.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.08
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-aminooxyimino-3-hydrazinylideneurea?
The IUPAC name of 1-aminooxyimino-3-hydrazinylideneurea (CID 126517110) is 1-aminooxyimino-3-hydrazinylideneurea.
What is the SMILES notation for 1-aminooxyimino-3-hydrazinylideneurea?
The canonical SMILES for 1-aminooxyimino-3-hydrazinylideneurea is NN=NC(=O)N=NON.
What is the InChIKey of 1-aminooxyimino-3-hydrazinylideneurea?
The InChIKey is DWBQFGRDRVUTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N6O2/c2-6-4-1(8)5-7-9-3/h3H2,(H2,2,4,8).
What are the key properties of 1-aminooxyimino-3-hydrazinylideneurea?
1-aminooxyimino-3-hydrazinylideneurea has a molecular weight of 132.08 g/mol, XLogP of -0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxyimino-3-hydrazinylideneurea is sourced from PubChem (CID 126517110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).