N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide

C11H17N5O2 — CID 136749153

IUPACN'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide
SMILESCOC1CCCN(c2cnc(C(N)=NO)cn2)C1
InChIInChI=1S/C11H17N5O2/c1-18-8-3-2-4-16(7-8)10-6-13-9(5-14-10)11(12)15-17/h5-6,8,17H,2-4,7H2,1H3,(H2,12,15)
InChIKeyZIHPUJQWFZZRDH-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.19
Rot. Bonds3

About N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide

N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide (PubChem CID 136749153) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide
PubChem CID136749153
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide
SMILESCOC1CCCN(c2cnc(C(N)=NO)cn2)C1
InChIInChI=1S/C11H17N5O2/c1-18-8-3-2-4-16(7-8)10-6-13-9(5-14-10)11(12)15-17/h5-6,8,17H,2-4,7H2,1H3,(H2,12,15)
InChIKeyZIHPUJQWFZZRDH-UHFFFAOYSA-N
XLogP0.19
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.19
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 N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide (CID 136749153) is N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide is COC1CCCN(c2cnc(C(N)=NO)cn2)C1.
What is the InChIKey of N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide?
The InChIKey is ZIHPUJQWFZZRDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-18-8-3-2-4-16(7-8)10-6-13-9(5-14-10)11(12)15-17/h5-6,8,17H,2-4,7H2,1H3,(H2,12,15).
What are the key properties of N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide?
N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide has a molecular weight of 251.29 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-5-(3-methoxypiperidin-1-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 136749153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).