N'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide

C11H17N5O — CID 135508898

IUPACN'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide
SMILESCC1CCCCN1c1cncc(/C(N)=N/O)n1
InChIInChI=1S/C11H17N5O/c1-8-4-2-3-5-16(8)10-7-13-6-9(14-10)11(12)15-17/h6-8,17H,2-5H2,1H3,(H2,12,15)
InChIKeyLEIGRSYOBJSJEB-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.95
Rot. Bonds2

About N'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide

N'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide (PubChem CID 135508898) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide
PubChem CID135508898
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide
SMILESCC1CCCCN1c1cncc(/C(N)=N/O)n1
InChIInChI=1S/C11H17N5O/c1-8-4-2-3-5-16(8)10-7-13-6-9(14-10)11(12)15-17/h6-8,17H,2-5H2,1H3,(H2,12,15)
InChIKeyLEIGRSYOBJSJEB-UHFFFAOYSA-N
XLogP0.95
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.95
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'}, {'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-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide (CID 135508898) is N'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide is CC1CCCCN1c1cncc(/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide?
The InChIKey is LEIGRSYOBJSJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8-4-2-3-5-16(8)10-7-13-6-9(14-10)11(12)15-17/h6-8,17H,2-5H2,1H3,(H2,12,15).
What are the key properties of N'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide?
N'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-(2-methylpiperidin-1-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 135508898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).