3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide

C13H14N4O — CID 62683368

IUPAC3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1cc(C)cc(C)c1
InChIInChI=1S/C13H14N4O/c1-8-5-9(2)7-10(6-8)18-13-11(12(14)15)16-3-4-17-13/h3-7H,1-2H3,(H3,14,15)
InChIKeyXWYZEYTZUGQYNX-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.17
Rot. Bonds3

About 3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide

3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide (PubChem CID 62683368) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide
PubChem CID62683368
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1cc(C)cc(C)c1
InChIInChI=1S/C13H14N4O/c1-8-5-9(2)7-10(6-8)18-13-11(12(14)15)16-3-4-17-13/h3-7H,1-2H3,(H3,14,15)
InChIKeyXWYZEYTZUGQYNX-UHFFFAOYSA-N
XLogP2.17
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.17
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'}

Analyze 3-(3,5-dimethylphenoxy)pyrazine-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

Related Compounds

3-phenoxypyrazine-2-carboximidamide
CID 62683537
3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide
CID 62684739
3-(2-chloro-5-methylphenoxy)pyrazine-2-carboximidamide
CID 62685074
3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide
CID 62684399
3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide
CID 62683543
3-ethoxypyrazine-2-carboximidamide
CID 62685584
3-[(3,5-dimethylphenoxy)methyl]pyridine-2-carboximidamide
CID 55128216
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyrazine-2-carboximidamide
CID 62684568
3-butoxypyrazine-2-carboximidamide
CID 62685425
3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide
CID 62683206
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboximidamide
CID 63654288
3-quinolin-5-yloxypyrazine-2-carboximidamide
CID 103044881

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide (CID 62683368) is 3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Oc1cc(C)cc(C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide?
The InChIKey is XWYZEYTZUGQYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c1-8-5-9(2)7-10(6-8)18-13-11(12(14)15)16-3-4-17-13/h3-7H,1-2H3,(H3,14,15).
What are the key properties of 3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide?
3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide has a molecular weight of 242.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide is sourced from PubChem (CID 62683368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).