3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one

C12H21N3O2 — CID 55157762

IUPAC3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(C)COC)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-6-15-7-5-13-11(12(15)16)14-8-10(2)9-17-3/h5,7,10H,4,6,8-9H2,1-3H3,(H,13,14)
InChIKeyIPYQYBVQEUFUBC-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.35
Rot. Bonds7

About 3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one

3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one (PubChem CID 55157762) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
PubChem CID55157762
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(C)COC)c1=O
InChIInChI=1S/C12H21N3O2/c1-4-6-15-7-5-13-11(12(15)16)14-8-10(2)9-17-3/h5,7,10H,4,6,8-9H2,1-3H3,(H,13,14)
InChIKeyIPYQYBVQEUFUBC-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one (CID 55157762) is 3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NCC(C)COC)c1=O.
What is the InChIKey of 3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one?
The InChIKey is IPYQYBVQEUFUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-6-15-7-5-13-11(12(15)16)14-8-10(2)9-17-3/h5,7,10H,4,6,8-9H2,1-3H3,(H,13,14).
What are the key properties of 3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one?
3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one has a molecular weight of 239.32 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2-methylpropyl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 55157762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).