3-phenoxypyrazine-2-carboximidamide

C11H10N4O — CID 62683537

IUPAC3-phenoxypyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1ccccc1
InChIInChI=1S/C11H10N4O/c12-10(13)9-11(15-7-6-14-9)16-8-4-2-1-3-5-8/h1-7H,(H3,12,13)
InChIKeyQBSPRZSOGWFVKH-UHFFFAOYSA-N
MW214.23 g/mol
LogP1.55
Rot. Bonds3

About 3-phenoxypyrazine-2-carboximidamide

3-phenoxypyrazine-2-carboximidamide (PubChem CID 62683537) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 3-phenoxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-phenoxypyrazine-2-carboximidamide
PubChem CID62683537
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name3-phenoxypyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1ccccc1
InChIInChI=1S/C11H10N4O/c12-10(13)9-11(15-7-6-14-9)16-8-4-2-1-3-5-8/h1-7H,(H3,12,13)
InChIKeyQBSPRZSOGWFVKH-UHFFFAOYSA-N
XLogP1.55
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 51.55
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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Frequently Asked Questions

What is the IUPAC name of 3-phenoxypyrazine-2-carboximidamide?
The IUPAC name of 3-phenoxypyrazine-2-carboximidamide (CID 62683537) is 3-phenoxypyrazine-2-carboximidamide.
What is the SMILES notation for 3-phenoxypyrazine-2-carboximidamide?
The canonical SMILES for 3-phenoxypyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Oc1ccccc1.
What is the InChIKey of 3-phenoxypyrazine-2-carboximidamide?
The InChIKey is QBSPRZSOGWFVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c12-10(13)9-11(15-7-6-14-9)16-8-4-2-1-3-5-8/h1-7H,(H3,12,13).
What are the key properties of 3-phenoxypyrazine-2-carboximidamide?
3-phenoxypyrazine-2-carboximidamide has a molecular weight of 214.23 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxypyrazine-2-carboximidamide is sourced from PubChem (CID 62683537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).