ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium

C5H8N2O2Y-2 — CID 58101906

IUPACethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium
SMILES[CH2-]C.[CH2-]c1noc(=O)[nH]1.[Y]
InChIInChI=1S/C3H3N2O2.C2H5.Y/c1-2-4-3(6)7-5-2;1-2;/h1H2,(H,4,5,6);1H2,2H3;/q2*-1;
InChIKeyLCLGSNALSQGJBT-UHFFFAOYSA-N
MW217.04 g/mol
LogP0.38
Rot. Bonds

About ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium

ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium (PubChem CID 58101906) has the molecular formula C5H8N2O2Y-2 and a molecular weight of 217.04 g/mol. Its IUPAC name is ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium.

Molecular Properties

Compound Nameethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium
PubChem CID58101906
Molecular FormulaC5H8N2O2Y-2
Molecular Weight217.04 g/mol
Exact Mass216.97
IUPAC Nameethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium
SMILES[CH2-]C.[CH2-]c1noc(=O)[nH]1.[Y]
InChIInChI=1S/C3H3N2O2.C2H5.Y/c1-2-4-3(6)7-5-2;1-2;/h1H2,(H,4,5,6);1H2,2H3;/q2*-1;
InChIKeyLCLGSNALSQGJBT-UHFFFAOYSA-N
XLogP0.38
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.04
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 136006252
CID 136006252
CID 136018886
CID 136018886
CID 139271989
CID 139271989
CID 141823906
CID 141823906
CID 141823910
CID 141823910
CID 141939940
CID 141939940
CID 141954796
CID 141954796
CID 142121034
CID 142121034

Frequently Asked Questions

What is the IUPAC name of ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium?
The IUPAC name of ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium (CID 58101906) is ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium.
What is the SMILES notation for ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium?
The canonical SMILES for ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium is [CH2-]C.[CH2-]c1noc(=O)[nH]1.[Y].
What is the InChIKey of ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium?
The InChIKey is LCLGSNALSQGJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N2O2.C2H5.Y/c1-2-4-3(6)7-5-2;1-2;/h1H2,(H,4,5,6);1H2,2H3;/q2*-1;.
What are the key properties of ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium?
ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium has a molecular weight of 217.04 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methanidyl-4H-1,2,4-oxadiazol-5-one;yttrium is sourced from PubChem (CID 58101906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).