[[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide

C3H12N4O — CID 163902190

IUPAC[[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide
SMILESCN(C)[NH+]([O-])[NH+](C)[NH-]
InChIInChI=1S/C3H12N4O/c1-5(2)7(8)6(3)4/h4,6-7H,1-3H3
InChIKeyQKUWPWXNPXOFKO-UHFFFAOYSA-N
MW120.16 g/mol
LogP-2.76
Rot. Bonds2

About [[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide

[[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide (PubChem CID 163902190) has the molecular formula C3H12N4O and a molecular weight of 120.16 g/mol. Its IUPAC name is [[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide.

Molecular Properties

Compound Name[[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide
PubChem CID163902190
Molecular FormulaC3H12N4O
Molecular Weight120.16 g/mol
Exact Mass120.10
IUPAC Name[[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide
SMILESCN(C)[NH+]([O-])[NH+](C)[NH-]
InChIInChI=1S/C3H12N4O/c1-5(2)7(8)6(3)4/h4,6-7H,1-3H3
InChIKeyQKUWPWXNPXOFKO-UHFFFAOYSA-N
XLogP-2.76
TPSA58.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.16
LogP ≤ 5-2.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide?
The IUPAC name of [[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide (CID 163902190) is [[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide.
What is the SMILES notation for [[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide?
The canonical SMILES for [[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide is CN(C)[NH+]([O-])[NH+](C)[NH-].
What is the InChIKey of [[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide?
The InChIKey is QKUWPWXNPXOFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N4O/c1-5(2)7(8)6(3)4/h4,6-7H,1-3H3.
What are the key properties of [[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide?
[[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide has a molecular weight of 120.16 g/mol, XLogP of -2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[dimethylamino(oxido)azaniumyl]-methylazaniumyl]azanide is sourced from PubChem (CID 163902190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).