N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide

C8H10N4O2 — CID 170856044

IUPACN'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide
SMILESC=CCOc1cncc(/C(N)=N/O)n1
InChIInChI=1S/C8H10N4O2/c1-2-3-14-7-5-10-4-6(11-7)8(9)12-13/h2,4-5,13H,1,3H2,(H2,9,12)
InChIKeyYRJUHLSCLYNHMK-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.14
Rot. Bonds4

About N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide

N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide (PubChem CID 170856044) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide
PubChem CID170856044
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide
SMILESC=CCOc1cncc(/C(N)=N/O)n1
InChIInChI=1S/C8H10N4O2/c1-2-3-14-7-5-10-4-6(11-7)8(9)12-13/h2,4-5,13H,1,3H2,(H2,9,12)
InChIKeyYRJUHLSCLYNHMK-UHFFFAOYSA-N
XLogP0.14
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.14
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide?
The IUPAC name of N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide (CID 170856044) is N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide is C=CCOc1cncc(/C(N)=N/O)n1.
What is the InChIKey of N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide?
The InChIKey is YRJUHLSCLYNHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-2-3-14-7-5-10-4-6(11-7)8(9)12-13/h2,4-5,13H,1,3H2,(H2,9,12).
What are the key properties of N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide?
N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide has a molecular weight of 194.19 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-6-prop-2-enoxypyrazine-2-carboximidamide is sourced from PubChem (CID 170856044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).