3-ethoxypyrazine-2-carboximidamide

C7H10N4O — CID 62685584

IUPAC3-ethoxypyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1OCC
InChIInChI=1S/C7H10N4O/c1-2-12-7-5(6(8)9)10-3-4-11-7/h3-4H,2H2,1H3,(H3,8,9)
InChIKeyPIIJTDACYYBMMW-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.16
Rot. Bonds3

About 3-ethoxypyrazine-2-carboximidamide

3-ethoxypyrazine-2-carboximidamide (PubChem CID 62685584) has the molecular formula C7H10N4O and a molecular weight of 166.18 g/mol. Its IUPAC name is 3-ethoxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-ethoxypyrazine-2-carboximidamide
PubChem CID62685584
Molecular FormulaC7H10N4O
Molecular Weight166.18 g/mol
Exact Mass166.09
IUPAC Name3-ethoxypyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1OCC
InChIInChI=1S/C7H10N4O/c1-2-12-7-5(6(8)9)10-3-4-11-7/h3-4H,2H2,1H3,(H3,8,9)
InChIKeyPIIJTDACYYBMMW-UHFFFAOYSA-N
XLogP0.16
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-butoxypyrazine-2-carboximidamide
CID 62685425
3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide
CID 62684399
3-pentan-2-yloxypyrazine-2-carboximidamide
CID 102982106
3-(2-phenoxyethoxy)pyrazine-2-carboximidamide
CID 62684730
3-(4,4,4-trifluorobutoxy)pyrazine-2-carboximidamide
CID 82788951
3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide
CID 62683368
3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide
CID 62685766
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboximidamide
CID 63654288
3-phenoxypyrazine-2-carboximidamide
CID 62683537
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carboximidamide
CID 62685242
3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide
CID 62683206
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyrazine-2-carboximidamide
CID 62684568

Frequently Asked Questions

What is the IUPAC name of 3-ethoxypyrazine-2-carboximidamide?
The IUPAC name of 3-ethoxypyrazine-2-carboximidamide (CID 62685584) is 3-ethoxypyrazine-2-carboximidamide.
What is the SMILES notation for 3-ethoxypyrazine-2-carboximidamide?
The canonical SMILES for 3-ethoxypyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1OCC.
What is the InChIKey of 3-ethoxypyrazine-2-carboximidamide?
The InChIKey is PIIJTDACYYBMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O/c1-2-12-7-5(6(8)9)10-3-4-11-7/h3-4H,2H2,1H3,(H3,8,9).
What are the key properties of 3-ethoxypyrazine-2-carboximidamide?
3-ethoxypyrazine-2-carboximidamide has a molecular weight of 166.18 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxypyrazine-2-carboximidamide is sourced from PubChem (CID 62685584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).