[methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide

C3H13N5O — CID 163444863

IUPAC[methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide
SMILESCNN(C)O[NH+]([NH-])NC
InChIInChI=1S/C3H13N5O/c1-5-7(3)9-8(4)6-2/h4-6,8H,1-3H3
InChIKeyBBQQRDIZKYSIAQ-UHFFFAOYSA-N
MW135.17 g/mol
LogP-2.11
Rot. Bonds4

About [methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide

[methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide (PubChem CID 163444863) has the molecular formula C3H13N5O and a molecular weight of 135.17 g/mol. Its IUPAC name is [methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide.

Molecular Properties

Compound Name[methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide
PubChem CID163444863
Molecular FormulaC3H13N5O
Molecular Weight135.17 g/mol
Exact Mass135.11
IUPAC Name[methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide
SMILESCNN(C)O[NH+]([NH-])NC
InChIInChI=1S/C3H13N5O/c1-5-7(3)9-8(4)6-2/h4-6,8H,1-3H3
InChIKeyBBQQRDIZKYSIAQ-UHFFFAOYSA-N
XLogP-2.11
TPSA64.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-2.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 [methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide?
The IUPAC name of [methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide (CID 163444863) is [methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide.
What is the SMILES notation for [methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide?
The canonical SMILES for [methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide is CNN(C)O[NH+]([NH-])NC.
What is the InChIKey of [methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide?
The InChIKey is BBQQRDIZKYSIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H13N5O/c1-5-7(3)9-8(4)6-2/h4-6,8H,1-3H3.
What are the key properties of [methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide?
[methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide has a molecular weight of 135.17 g/mol, XLogP of -2.11, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methylamino-[methyl(methylamino)amino]oxyazaniumyl]azanide is sourced from PubChem (CID 163444863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).