3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one

C13H15N3O2 — CID 103702655

IUPAC3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one
SMILESCOc1cccc(CCNc2ncc[nH]c2=O)c1
InChIInChI=1S/C13H15N3O2/c1-18-11-4-2-3-10(9-11)5-6-14-12-13(17)16-8-7-15-12/h2-4,7-9H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyBXDCTXYJNHIHRI-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.43
Rot. Bonds5

About 3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one

3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one (PubChem CID 103702655) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one
PubChem CID103702655
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one
SMILESCOc1cccc(CCNc2ncc[nH]c2=O)c1
InChIInChI=1S/C13H15N3O2/c1-18-11-4-2-3-10(9-11)5-6-14-12-13(17)16-8-7-15-12/h2-4,7-9H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyBXDCTXYJNHIHRI-UHFFFAOYSA-N
XLogP1.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(3-methoxyphenyl)ethylamino]-1-methylpyrazin-2-one
CID 103702647
3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103741704
3-amino-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107856230
2-[2-(3-methoxyphenyl)ethylamino]-4-methylpyridine-3-carboxylic acid
CID 107854772
N-[2-(3-methoxyphenyl)ethyl]furo[3,2-c]pyridin-4-amine
CID 103702656
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
N-[2-(1H-imidazol-2-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 115620121
1-(1H-imidazol-2-yl)-3-(3-methoxyphenyl)propan-2-one
CID 43162782
5-chloro-3-fluoro-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 103738561
N-[2-(3-methoxyphenyl)ethyl]-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110648496
6-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-3-amine
CID 23440804
6-ethoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 107851217

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one (CID 103702655) is 3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one is COc1cccc(CCNc2ncc[nH]c2=O)c1.
What is the InChIKey of 3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one?
The InChIKey is BXDCTXYJNHIHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-11-4-2-3-10(9-11)5-6-14-12-13(17)16-8-7-15-12/h2-4,7-9H,5-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one?
3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-methoxyphenyl)ethylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 103702655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).