5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile

C13H10N4O2 — CID 116541439

IUPAC5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile
SMILESCC(=O)c1cc(N)ccc1Oc1cnc(C#N)cn1
InChIInChI=1S/C13H10N4O2/c1-8(18)11-4-9(15)2-3-12(11)19-13-7-16-10(5-14)6-17-13/h2-4,6-7H,15H2,1H3
InChIKeyOZHSAABOEWOBTK-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.93
Rot. Bonds3

About 5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile

5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile (PubChem CID 116541439) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile
PubChem CID116541439
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile
SMILESCC(=O)c1cc(N)ccc1Oc1cnc(C#N)cn1
InChIInChI=1S/C13H10N4O2/c1-8(18)11-4-9(15)2-3-12(11)19-13-7-16-10(5-14)6-17-13/h2-4,6-7H,15H2,1H3
InChIKeyOZHSAABOEWOBTK-UHFFFAOYSA-N
XLogP1.93
TPSA101.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(2-acetyl-4-aminophenoxy)-4-chlorobenzonitrile
CID 116541510
5-(4-bromo-2-cyanophenoxy)pyrazine-2-carbonitrile
CID 133491376
2-(2-acetyl-4-aminophenoxy)-6-chlorobenzonitrile
CID 116541422
5-(2-bromo-4-methoxyphenoxy)pyrazine-2-carbonitrile
CID 104707141
1-[5-amino-2-[(2-methoxy-4-pyridinyl)oxy]phenyl]ethanone
CID 116541549
4-(2-acetyl-4-aminophenoxy)-2-methyl-1H-pyrimidin-6-one
CID 114578883
1-[5-amino-2-(3-methyltriazol-4-yl)oxyphenyl]ethanone
CID 114222924
1-[5-amino-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]ethanone
CID 116541482
1-(5-amino-2-ethoxyphenyl)ethanone;hydrochloride
CID 23470682
1-(5-amino-2-propan-2-yloxyphenyl)ethanone
CID 70224609
1-(5-amino-2-octoxyphenyl)ethanone
CID 26223
1-(5-amino-2-phthalazin-1-yloxyphenyl)ethanone
CID 116541453

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile?
The IUPAC name of 5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile (CID 116541439) is 5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile is CC(=O)c1cc(N)ccc1Oc1cnc(C#N)cn1.
What is the InChIKey of 5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile?
The InChIKey is OZHSAABOEWOBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-8(18)11-4-9(15)2-3-12(11)19-13-7-16-10(5-14)6-17-13/h2-4,6-7H,15H2,1H3.
What are the key properties of 5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile?
5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile has a molecular weight of 254.25 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetyl-4-aminophenoxy)pyrazine-2-carbonitrile is sourced from PubChem (CID 116541439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).