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

C14H17N3O3 — CID 102703068

IUPAC3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(Oc2cc(OC)ccc2N)c1=O
InChIInChI=1S/C14H17N3O3/c1-3-7-17-8-6-16-13(14(17)18)20-12-9-10(19-2)4-5-11(12)15/h4-6,8-9H,3,7,15H2,1-2H3
InChIKeyPQGGUOHFCUAIHA-UHFFFAOYSA-N
MW275.31 g/mol
LogP2.04
Rot. Bonds5

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

3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one (PubChem CID 102703068) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one
PubChem CID102703068
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(Oc2cc(OC)ccc2N)c1=O
InChIInChI=1S/C14H17N3O3/c1-3-7-17-8-6-16-13(14(17)18)20-12-9-10(19-2)4-5-11(12)15/h4-6,8-9H,3,7,15H2,1-2H3
InChIKeyPQGGUOHFCUAIHA-UHFFFAOYSA-N
XLogP2.04
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 52.04
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

3-(3-bromo-4-fluorophenoxy)-1-propylpyrazin-2-one
CID 83231253
3-(2-amino-3-methylphenoxy)-1-propylpyrazin-2-one
CID 55157571
2-(4-ethyl-3-oxopyrazin-2-yl)oxy-4-methoxybenzoic acid
CID 62929919
3-[4-(aminomethyl)-3-chlorophenoxy]-1-propylpyrazin-2-one
CID 102724747
3-(5-amino-2-methylphenoxy)-1-ethylpyrazin-2-one
CID 62929873
4-(2-amino-5-methoxyphenoxy)-5-methoxy-1H-pyrimidin-6-one
CID 102702936
3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid
CID 81443631
3-(4-amino-3-chlorophenoxy)-1-(2-methylpropyl)pyrazin-2-one
CID 62929174
methyl 2-(2-amino-5-methoxyphenoxy)pyridine-3-carboxylate
CID 102703090
3-(2-amino-5-chlorophenoxy)-1-tert-butylpyrazin-2-one
CID 62927261
3-(2-amino-6-fluorophenoxy)-1-ethylpyrazin-2-one
CID 113458315
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one?
The IUPAC name of 3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one (CID 102703068) is 3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one is CCCn1ccnc(Oc2cc(OC)ccc2N)c1=O.
What is the InChIKey of 3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one?
The InChIKey is PQGGUOHFCUAIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-3-7-17-8-6-16-13(14(17)18)20-12-9-10(19-2)4-5-11(12)15/h4-6,8-9H,3,7,15H2,1-2H3.
What are the key properties of 3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one?
3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one has a molecular weight of 275.31 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one is sourced from PubChem (CID 102703068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).