3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one

C12H21N3O2 — CID 62927492

IUPAC3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(OCCNC(C)C)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-7-15-8-5-14-11(12(15)16)17-9-6-13-10(2)3/h5,8,10,13H,4,6-7,9H2,1-3H3
InChIKeyBFZIQBWILKLXDU-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.03
Rot. Bonds7

About 3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one

3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one (PubChem CID 62927492) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one
PubChem CID62927492
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(OCCNC(C)C)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-7-15-8-5-14-11(12(15)16)17-9-6-13-10(2)3/h5,8,10,13H,4,6-7,9H2,1-3H3
InChIKeyBFZIQBWILKLXDU-UHFFFAOYSA-N
XLogP1.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one?
The IUPAC name of 3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one (CID 62927492) is 3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one is CCCn1ccnc(OCCNC(C)C)c1=O.
What is the InChIKey of 3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one?
The InChIKey is BFZIQBWILKLXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-7-15-8-5-14-11(12(15)16)17-9-6-13-10(2)3/h5,8,10,13H,4,6-7,9H2,1-3H3.
What are the key properties of 3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one?
3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one has a molecular weight of 239.32 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(propan-2-ylamino)ethoxy]-1-propylpyrazin-2-one is sourced from PubChem (CID 62927492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).