2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one

C11H15N3O2 — CID 116558450

IUPAC2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one
SMILESCOc1nccnc1C(=O)C(C)(N)C1CC1
InChIInChI=1S/C11H15N3O2/c1-11(12,7-3-4-7)9(15)8-10(16-2)14-6-5-13-8/h5-7H,3-4,12H2,1-2H3
InChIKeyYLCZEFXKXIHRKV-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.80
Rot. Bonds4

About 2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one

2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one (PubChem CID 116558450) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one
PubChem CID116558450
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one
SMILESCOc1nccnc1C(=O)C(C)(N)C1CC1
InChIInChI=1S/C11H15N3O2/c1-11(12,7-3-4-7)9(15)8-10(16-2)14-6-5-13-8/h5-7H,3-4,12H2,1-2H3
InChIKeyYLCZEFXKXIHRKV-UHFFFAOYSA-N
XLogP0.80
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-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 2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one?
The IUPAC name of 2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one (CID 116558450) is 2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one.
What is the SMILES notation for 2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one?
The canonical SMILES for 2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one is COc1nccnc1C(=O)C(C)(N)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one?
The InChIKey is YLCZEFXKXIHRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-11(12,7-3-4-7)9(15)8-10(16-2)14-6-5-13-8/h5-7H,3-4,12H2,1-2H3.
What are the key properties of 2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one?
2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one has a molecular weight of 221.26 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-1-(3-methoxypyrazin-2-yl)propan-1-one is sourced from PubChem (CID 116558450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).