3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one

C14H15N3O3 — CID 62928299

IUPAC3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one
SMILESCOc1ccc(N)cc1Oc1nccn(C2CC2)c1=O
InChIInChI=1S/C14H15N3O3/c1-19-11-5-2-9(15)8-12(11)20-13-14(18)17(7-6-16-13)10-3-4-10/h2,5-8,10H,3-4,15H2,1H3
InChIKeyMEZBIVCKPWBVAK-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.96
Rot. Bonds4

About 3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one

3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one (PubChem CID 62928299) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one.

Molecular Properties

Compound Name3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one
PubChem CID62928299
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one
SMILESCOc1ccc(N)cc1Oc1nccn(C2CC2)c1=O
InChIInChI=1S/C14H15N3O3/c1-19-11-5-2-9(15)8-12(11)20-13-14(18)17(7-6-16-13)10-3-4-10/h2,5-8,10H,3-4,15H2,1H3
InChIKeyMEZBIVCKPWBVAK-UHFFFAOYSA-N
XLogP1.96
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one?
The IUPAC name of 3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one (CID 62928299) is 3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one.
What is the SMILES notation for 3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one?
The canonical SMILES for 3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one is COc1ccc(N)cc1Oc1nccn(C2CC2)c1=O.
What is the InChIKey of 3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one?
The InChIKey is MEZBIVCKPWBVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-11-5-2-9(15)8-12(11)20-13-14(18)17(7-6-16-13)10-3-4-10/h2,5-8,10H,3-4,15H2,1H3.
What are the key properties of 3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one?
3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one has a molecular weight of 273.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-methoxyphenoxy)-1-cyclopropylpyrazin-2-one is sourced from PubChem (CID 62928299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).