3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide

C15H18N4O — CID 62683206

IUPAC3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C15H18N4O/c1-15(2,3)10-6-4-5-7-11(10)20-14-12(13(16)17)18-8-9-19-14/h4-9H,1-3H3,(H3,16,17)
InChIKeyPAQFWFJLQQQVCT-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.85
Rot. Bonds3

About 3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide

3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide (PubChem CID 62683206) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide
PubChem CID62683206
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1ccccc1C(C)(C)C
InChIInChI=1S/C15H18N4O/c1-15(2,3)10-6-4-5-7-11(10)20-14-12(13(16)17)18-8-9-19-14/h4-9H,1-3H3,(H3,16,17)
InChIKeyPAQFWFJLQQQVCT-UHFFFAOYSA-N
XLogP2.85
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.85
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'}

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Related Compounds

3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboximidamide
CID 63654288
3-[(2-tert-butylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894740
3-phenoxypyrazine-2-carboximidamide
CID 62683537
2-(2-tert-butylphenoxy)pyrimidine-4-carboximidamide
CID 107550918
3-quinolin-5-yloxypyrazine-2-carboximidamide
CID 103044881
3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide
CID 62684739
3-(2-chloro-5-methylphenoxy)pyrazine-2-carboximidamide
CID 62685074
3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide
CID 62683368
3-ethoxypyrazine-2-carboximidamide
CID 62685584
3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide
CID 62684399
3-(2-phenoxyethoxy)pyrazine-2-carboximidamide
CID 62684730
3-(3-propan-2-ylphenoxy)pyrazine-2-carboximidamide
CID 62683543

Frequently Asked Questions

What is the IUPAC name of 3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide?
The IUPAC name of 3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide (CID 62683206) is 3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Oc1ccccc1C(C)(C)C.
What is the InChIKey of 3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide?
The InChIKey is PAQFWFJLQQQVCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-15(2,3)10-6-4-5-7-11(10)20-14-12(13(16)17)18-8-9-19-14/h4-9H,1-3H3,(H3,16,17).
What are the key properties of 3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide?
3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide has a molecular weight of 270.34 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-tert-butylphenoxy)pyrazine-2-carboximidamide is sourced from PubChem (CID 62683206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).