[[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane

C3H3N7O3 — CID 141102757

IUPAC[[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane
SMILESO=C=NNN(NN=C=O)NN=C=O
InChIInChI=1S/C3H3N7O3/c11-1-4-7-10(8-5-2-12)9-6-3-13/h7-9H
InChIKeyAQTYLQJQYNYWMR-UHFFFAOYSA-N
MW185.10 g/mol
LogP-2.45
Rot. Bonds6

About [[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane

[[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane (PubChem CID 141102757) has the molecular formula C3H3N7O3 and a molecular weight of 185.10 g/mol. Its IUPAC name is [[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane.

Molecular Properties

Compound Name[[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane
PubChem CID141102757
Molecular FormulaC3H3N7O3
Molecular Weight185.10 g/mol
Exact Mass185.03
IUPAC Name[[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane
SMILESO=C=NNN(NN=C=O)NN=C=O
InChIInChI=1S/C3H3N7O3/c11-1-4-7-10(8-5-2-12)9-6-3-13/h7-9H
InChIKeyAQTYLQJQYNYWMR-UHFFFAOYSA-N
XLogP-2.45
TPSA127.62 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 5-2.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', '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 [[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane?
The IUPAC name of [[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane (CID 141102757) is [[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane.
What is the SMILES notation for [[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane?
The canonical SMILES for [[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane is O=C=NNN(NN=C=O)NN=C=O.
What is the InChIKey of [[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane?
The InChIKey is AQTYLQJQYNYWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N7O3/c11-1-4-7-10(8-5-2-12)9-6-3-13/h7-9H.
What are the key properties of [[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane?
[[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane has a molecular weight of 185.10 g/mol, XLogP of -2.45, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [[bis[2-(oxomethylidene)hydrazinyl]amino]hydrazinylidene]-oxomethane is sourced from PubChem (CID 141102757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).