6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide

C11H19N5O2 — CID 137103725

IUPAC6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide
SMILESCCN(CC)CCOc1cncc(/C(N)=N/O)n1
InChIInChI=1S/C11H19N5O2/c1-3-16(4-2)5-6-18-10-8-13-7-9(14-10)11(12)15-17/h7-8,17H,3-6H2,1-2H3,(H2,12,15)
InChIKeyWUDDQXZAGNHQGK-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.29
Rot. Bonds7

About 6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide

6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 137103725) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide
PubChem CID137103725
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide
SMILESCCN(CC)CCOc1cncc(/C(N)=N/O)n1
InChIInChI=1S/C11H19N5O2/c1-3-16(4-2)5-6-18-10-8-13-7-9(14-10)11(12)15-17/h7-8,17H,3-6H2,1-2H3,(H2,12,15)
InChIKeyWUDDQXZAGNHQGK-UHFFFAOYSA-N
XLogP0.29
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide (CID 137103725) is 6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide is CCN(CC)CCOc1cncc(/C(N)=N/O)n1.
What is the InChIKey of 6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is WUDDQXZAGNHQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-16(4-2)5-6-18-10-8-13-7-9(14-10)11(12)15-17/h7-8,17H,3-6H2,1-2H3,(H2,12,15).
What are the key properties of 6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide?
6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 253.31 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(diethylamino)ethoxy]-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 137103725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).