3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one

C10H17N3O — CID 176568585

IUPAC3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one
SMILESCC(C)N(C)C(C)c1ncc[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-7(2)13(4)8(3)9-10(14)12-6-5-11-9/h5-8H,1-4H3,(H,12,14)
InChIKeyPUDGFEXUXIJICX-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.17
Rot. Bonds3

About 3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one

3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one (PubChem CID 176568585) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one
PubChem CID176568585
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one
SMILESCC(C)N(C)C(C)c1ncc[nH]c1=O
InChIInChI=1S/C10H17N3O/c1-7(2)13(4)8(3)9-10(14)12-6-5-11-9/h5-8H,1-4H3,(H,12,14)
InChIKeyPUDGFEXUXIJICX-UHFFFAOYSA-N
XLogP1.17
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-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-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one?
The IUPAC name of 3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one (CID 176568585) is 3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one is CC(C)N(C)C(C)c1ncc[nH]c1=O.
What is the InChIKey of 3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one?
The InChIKey is PUDGFEXUXIJICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)13(4)8(3)9-10(14)12-6-5-11-9/h5-8H,1-4H3,(H,12,14).
What are the key properties of 3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one?
3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one has a molecular weight of 195.27 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[methyl(propan-2-yl)amino]ethyl]-1H-pyrazin-2-one is sourced from PubChem (CID 176568585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).