3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide

C13H14N4O2 — CID 62684399

IUPAC3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1cccc(OCC)c1
InChIInChI=1S/C13H14N4O2/c1-2-18-9-4-3-5-10(8-9)19-13-11(12(14)15)16-6-7-17-13/h3-8H,2H2,1H3,(H3,14,15)
InChIKeyORMLDEVPNGDFRH-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.95
Rot. Bonds5

About 3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide

3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide (PubChem CID 62684399) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide
PubChem CID62684399
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1cccc(OCC)c1
InChIInChI=1S/C13H14N4O2/c1-2-18-9-4-3-5-10(8-9)19-13-11(12(14)15)16-6-7-17-13/h3-8H,2H2,1H3,(H3,14,15)
InChIKeyORMLDEVPNGDFRH-UHFFFAOYSA-N
XLogP1.95
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.95
H-Bond Donors ≤ 52
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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Related Compounds

3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide
CID 62683543
3-phenoxypyrazine-2-carboximidamide
CID 62683537
3-ethoxypyrazine-2-carboximidamide
CID 62685584
3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide
CID 62683368
2-(3-ethoxyphenoxy)pyrimidine-4-carboximidamide
CID 107551111
3-(3-ethoxyphenoxy)pyrazin-2-amine
CID 102988136
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carboximidamide
CID 62685242
3-(2-phenoxyethoxy)pyrazine-2-carboximidamide
CID 62684730
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboximidamide
CID 63654288
4-chloro-2-(3-ethoxyphenoxy)benzenecarboximidamide
CID 63094214
3-quinolin-5-yloxypyrazine-2-carboximidamide
CID 103044881
3-butoxypyrazine-2-carboximidamide
CID 62685425

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide?
The IUPAC name of 3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide (CID 62684399) is 3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Oc1cccc(OCC)c1.
What is the InChIKey of 3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide?
The InChIKey is ORMLDEVPNGDFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-2-18-9-4-3-5-10(8-9)19-13-11(12(14)15)16-6-7-17-13/h3-8H,2H2,1H3,(H3,14,15).
What are the key properties of 3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide?
3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide has a molecular weight of 258.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide is sourced from PubChem (CID 62684399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).