6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide

C13H14N4O2 — CID 170856008

IUPAC6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide
SMILESCc1cccc(Oc2cncc(/C(N)=N/O)n2)c1C
InChIInChI=1S/C13H14N4O2/c1-8-4-3-5-11(9(8)2)19-12-7-15-6-10(16-12)13(14)17-18/h3-7,18H,1-2H3,(H2,14,17)
InChIKeyLCAQWWWEOIUSAO-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.98
Rot. Bonds3

About 6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide

6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide (PubChem CID 170856008) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide.

Molecular Properties

Compound Name6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide
PubChem CID170856008
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide
SMILESCc1cccc(Oc2cncc(/C(N)=N/O)n2)c1C
InChIInChI=1S/C13H14N4O2/c1-8-4-3-5-11(9(8)2)19-12-7-15-6-10(16-12)13(14)17-18/h3-7,18H,1-2H3,(H2,14,17)
InChIKeyLCAQWWWEOIUSAO-UHFFFAOYSA-N
XLogP1.98
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.98
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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Related Compounds

2-(2,3-Dimethylphenoxy)pyridin-3-amine
CID 2775051
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 2822034
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 135983232
N'-hydroxy-5-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]pyrazine-2-carboximidamide
CID 137090986
N'-hydroxy-3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 135533435
[5-[4-Methoxy-2-(trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine
CID 87564390
[3-[2-(Trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine
CID 62671648
[3-[3-(Trifluoromethyl)phenoxy]pyrazin-2-yl]methanamine
CID 62674108
3-[4-(Trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 62684058
3-[3-(Trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 62684733
3-[2-(Trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 62685070
5-[3-(Trifluoromethyl)phenoxy]pyrazine-2-carboximidamide
CID 64271408

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide?
The IUPAC name of 6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide (CID 170856008) is 6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide.
What is the SMILES notation for 6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide?
The canonical SMILES for 6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide is Cc1cccc(Oc2cncc(/C(N)=N/O)n2)c1C.
What is the InChIKey of 6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide?
The InChIKey is LCAQWWWEOIUSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-4-3-5-11(9(8)2)19-12-7-15-6-10(16-12)13(14)17-18/h3-7,18H,1-2H3,(H2,14,17).
What are the key properties of 6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide?
6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide has a molecular weight of 258.28 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dimethylphenoxy)-N'-hydroxypyrazine-2-carboximidamide is sourced from PubChem (CID 170856008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).