3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide

C13H21N5O — CID 55156215

IUPAC3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nccn(CCC)c1=O)C1CC1
InChIInChI=1S/C13H21N5O/c1-2-7-17-9-6-16-12(13(17)19)18(10-3-4-10)8-5-11(14)15/h6,9-10H,2-5,7-8H2,1H3,(H3,14,15)
InChIKeyILUYKVNTDARQBH-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.95
Rot. Bonds7

About 3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide

3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide (PubChem CID 55156215) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide.

Molecular Properties

Compound Name3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
PubChem CID55156215
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide
SMILES[H]/N=C(\N)CCN(c1nccn(CCC)c1=O)C1CC1
InChIInChI=1S/C13H21N5O/c1-2-7-17-9-6-16-12(13(17)19)18(10-3-4-10)8-5-11(14)15/h6,9-10H,2-5,7-8H2,1H3,(H3,14,15)
InChIKeyILUYKVNTDARQBH-UHFFFAOYSA-N
XLogP0.95
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide 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-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide?
The IUPAC name of 3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide (CID 55156215) is 3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide.
What is the SMILES notation for 3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide?
The canonical SMILES for 3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide is [H]/N=C(\N)CCN(c1nccn(CCC)c1=O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide?
The InChIKey is ILUYKVNTDARQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-7-17-9-6-16-12(13(17)19)18(10-3-4-10)8-5-11(14)15/h6,9-10H,2-5,7-8H2,1H3,(H3,14,15).
What are the key properties of 3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide?
3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide has a molecular weight of 263.34 g/mol, XLogP of 0.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanimidamide is sourced from PubChem (CID 55156215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).