methylazanide;yttrium;nitrite

CH4N2O2Y-2 — CID 58083697

IUPACmethylazanide;yttrium;nitrite
SMILESC[NH-].O=N[O-].[Y]
InChIInChI=1S/CH4N.HNO2.Y/c1-2;2-1-3;/h2H,1H3;(H,2,3);/q-1;;/p-1
InChIKeyKSAHIBWDTWPLRM-UHFFFAOYSA-M
MW164.96 g/mol
LogP0.92
Rot. Bonds

About methylazanide;yttrium;nitrite

methylazanide;yttrium;nitrite (PubChem CID 58083697) has the molecular formula CH4N2O2Y-2 and a molecular weight of 164.96 g/mol. Its IUPAC name is methylazanide;yttrium;nitrite.

Molecular Properties

Compound Namemethylazanide;yttrium;nitrite
PubChem CID58083697
Molecular FormulaCH4N2O2Y-2
Molecular Weight164.96 g/mol
Exact Mass164.93
IUPAC Namemethylazanide;yttrium;nitrite
SMILESC[NH-].O=N[O-].[Y]
InChIInChI=1S/CH4N.HNO2.Y/c1-2;2-1-3;/h2H,1H3;(H,2,3);/q-1;;/p-1
InChIKeyKSAHIBWDTWPLRM-UHFFFAOYSA-M
XLogP0.92
TPSA76.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.96
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', '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 methylazanide;yttrium;nitrite?
The IUPAC name of methylazanide;yttrium;nitrite (CID 58083697) is methylazanide;yttrium;nitrite.
What is the SMILES notation for methylazanide;yttrium;nitrite?
The canonical SMILES for methylazanide;yttrium;nitrite is C[NH-].O=N[O-].[Y].
What is the InChIKey of methylazanide;yttrium;nitrite?
The InChIKey is KSAHIBWDTWPLRM-UHFFFAOYSA-M. The full InChI is InChI=1S/CH4N.HNO2.Y/c1-2;2-1-3;/h2H,1H3;(H,2,3);/q-1;;/p-1.
What are the key properties of methylazanide;yttrium;nitrite?
methylazanide;yttrium;nitrite has a molecular weight of 164.96 g/mol, XLogP of 0.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylazanide;yttrium;nitrite is sourced from PubChem (CID 58083697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).