3-(2-phenoxyethoxy)pyrazine-2-carboximidamide

C13H14N4O2 — CID 62684730

IUPAC3-(2-phenoxyethoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1OCCOc1ccccc1
InChIInChI=1S/C13H14N4O2/c14-12(15)11-13(17-7-6-16-11)19-9-8-18-10-4-2-1-3-5-10/h1-7H,8-9H2,(H3,14,15)
InChIKeyHZKWVPJYYPCKCX-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.22
Rot. Bonds6

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

3-(2-phenoxyethoxy)pyrazine-2-carboximidamide (PubChem CID 62684730) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 3-(2-phenoxyethoxy)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(2-phenoxyethoxy)pyrazine-2-carboximidamide
PubChem CID62684730
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name3-(2-phenoxyethoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1OCCOc1ccccc1
InChIInChI=1S/C13H14N4O2/c14-12(15)11-13(17-7-6-16-11)19-9-8-18-10-4-2-1-3-5-10/h1-7H,8-9H2,(H3,14,15)
InChIKeyHZKWVPJYYPCKCX-UHFFFAOYSA-N
XLogP1.22
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-phenoxypyrazine-2-carboximidamide
CID 62683537
3-butoxypyrazine-2-carboximidamide
CID 62685425
3-(2-phenoxyethoxymethyl)pyridine-2-carboximidamide
CID 62893552
3-ethoxypyrazine-2-carboximidamide
CID 62685584
3-(4,4,4-trifluorobutoxy)pyrazine-2-carboximidamide
CID 82788951
3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide
CID 62685766
5,6-dimethyl-3-(2-phenoxyethoxy)pyridazine-4-carboximidamide
CID 61090117
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carboximidamide
CID 62685242
3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide
CID 62684399
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboximidamide
CID 63654288
4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
CID 61175204
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenoxyethoxy)pyrazine-2-carboximidamide?
The IUPAC name of 3-(2-phenoxyethoxy)pyrazine-2-carboximidamide (CID 62684730) is 3-(2-phenoxyethoxy)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(2-phenoxyethoxy)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(2-phenoxyethoxy)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1OCCOc1ccccc1.
What is the InChIKey of 3-(2-phenoxyethoxy)pyrazine-2-carboximidamide?
The InChIKey is HZKWVPJYYPCKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-12(15)11-13(17-7-6-16-11)19-9-8-18-10-4-2-1-3-5-10/h1-7H,8-9H2,(H3,14,15).
What are the key properties of 3-(2-phenoxyethoxy)pyrazine-2-carboximidamide?
3-(2-phenoxyethoxy)pyrazine-2-carboximidamide has a molecular weight of 258.28 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenoxyethoxy)pyrazine-2-carboximidamide is sourced from PubChem (CID 62684730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).