sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate

C12H18N3NaO2 — CID 159873174

IUPACsodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate
SMILESCC[O-].[H]/N=C(\OCC)c1cncc(C2CC2)n1.[Na+]
InChIInChI=1S/C10H13N3O.C2H5O.Na/c1-2-14-10(11)9-6-12-5-8(13-9)7-3-4-7;1-2-3;/h5-7,11H,2-4H2,1H3;2H2,1H3;/q;-1;+1/b11-10-;;
InChIKeyNSOJOXBJHOALLI-PQBRBDCOSA-N
MW259.28 g/mol
LogP-1.91
Rot. Bonds3

About sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate

sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate (PubChem CID 159873174) has the molecular formula C12H18N3NaO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate.

Molecular Properties

Compound Namesodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate
PubChem CID159873174
Molecular FormulaC12H18N3NaO2
Molecular Weight259.28 g/mol
Exact Mass259.13
IUPAC Namesodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate
SMILESCC[O-].[H]/N=C(\OCC)c1cncc(C2CC2)n1.[Na+]
InChIInChI=1S/C10H13N3O.C2H5O.Na/c1-2-14-10(11)9-6-12-5-8(13-9)7-3-4-7;1-2-3;/h5-7,11H,2-4H2,1H3;2H2,1H3;/q;-1;+1/b11-10-;;
InChIKeyNSOJOXBJHOALLI-PQBRBDCOSA-N
XLogP-1.91
TPSA81.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 5-1.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate?
The IUPAC name of sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate (CID 159873174) is sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate.
What is the SMILES notation for sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate?
The canonical SMILES for sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate is CC[O-].[H]/N=C(\OCC)c1cncc(C2CC2)n1.[Na+].
What is the InChIKey of sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate?
The InChIKey is NSOJOXBJHOALLI-PQBRBDCOSA-N. The full InChI is InChI=1S/C10H13N3O.C2H5O.Na/c1-2-14-10(11)9-6-12-5-8(13-9)7-3-4-7;1-2-3;/h5-7,11H,2-4H2,1H3;2H2,1H3;/q;-1;+1/b11-10-;;.
What are the key properties of sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate?
sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate has a molecular weight of 259.28 g/mol, XLogP of -1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethanolate;ethyl 6-cyclopropylpyrazine-2-carboximidate is sourced from PubChem (CID 159873174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).