methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate

C5H6N4O2 — CID 142609208

IUPACmethanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate
SMILES[H]/N=C(\O/C=N/[H])c1noc(C)n1
InChIInChI=1S/C5H6N4O2/c1-3-8-5(9-11-3)4(7)10-2-6/h2,6-7H,1H3/b6-2+,7-4-
InChIKeyOPCJYHLCDPWUBM-HVAWZRNZSA-N
MW154.13 g/mol
LogP0.33
Rot. Bonds2

About methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate

methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate (PubChem CID 142609208) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate.

Molecular Properties

Compound Namemethanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate
PubChem CID142609208
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Namemethanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate
SMILES[H]/N=C(\O/C=N/[H])c1noc(C)n1
InChIInChI=1S/C5H6N4O2/c1-3-8-5(9-11-3)4(7)10-2-6/h2,6-7H,1H3/b6-2+,7-4-
InChIKeyOPCJYHLCDPWUBM-HVAWZRNZSA-N
XLogP0.33
TPSA95.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate?
The IUPAC name of methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate (CID 142609208) is methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate.
What is the SMILES notation for methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate?
The canonical SMILES for methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate is [H]/N=C(\O/C=N/[H])c1noc(C)n1.
What is the InChIKey of methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate?
The InChIKey is OPCJYHLCDPWUBM-HVAWZRNZSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-3-8-5(9-11-3)4(7)10-2-6/h2,6-7H,1H3/b6-2+,7-4-.
What are the key properties of methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate?
methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate has a molecular weight of 154.13 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanimidoyl 5-methyl-1,2,4-oxadiazole-3-carboximidate is sourced from PubChem (CID 142609208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).