3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide

C12H11ClN4O — CID 62684739

IUPAC3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1ccc(C)cc1Cl
InChIInChI=1S/C12H11ClN4O/c1-7-2-3-9(8(13)6-7)18-12-10(11(14)15)16-4-5-17-12/h2-6H,1H3,(H3,14,15)
InChIKeyRQFWLAGQOFFBSH-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.51
Rot. Bonds3

About 3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide

3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide (PubChem CID 62684739) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide
PubChem CID62684739
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1Oc1ccc(C)cc1Cl
InChIInChI=1S/C12H11ClN4O/c1-7-2-3-9(8(13)6-7)18-12-10(11(14)15)16-4-5-17-12/h2-6H,1H3,(H3,14,15)
InChIKeyRQFWLAGQOFFBSH-UHFFFAOYSA-N
XLogP2.51
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.51
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-chloro-5-methylphenoxy)pyrazine-2-carboximidamide
CID 62685074
3-(3,5-dimethylphenoxy)pyrazine-2-carboximidamide
CID 62683368
3-(4-chloro-2-methyl-5-propan-2-ylphenoxy)pyrazine-2-carboximidamide
CID 62684568
4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81051909
3-phenoxypyrazine-2-carboximidamide
CID 62683537
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
3-(2-fluoro-5-methyl-4-nitrophenoxy)pyrazine-2-carboximidamide
CID 114416866
3-ethoxypyrazine-2-carboximidamide
CID 62685584
3-(3-ethoxyphenoxy)pyrazine-2-carboximidamide
CID 62684399
3-[(2-chlorophenyl)methoxy]pyrazine-2-carboximidamide
CID 62685766

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide?
The IUPAC name of 3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide (CID 62684739) is 3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1Oc1ccc(C)cc1Cl.
What is the InChIKey of 3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide?
The InChIKey is RQFWLAGQOFFBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-7-2-3-9(8(13)6-7)18-12-10(11(14)15)16-4-5-17-12/h2-6H,1H3,(H3,14,15).
What are the key properties of 3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide?
3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide has a molecular weight of 262.70 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methylphenoxy)pyrazine-2-carboximidamide is sourced from PubChem (CID 62684739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).