3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile

C13H20N4O2 — CID 63286547

IUPAC3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile
SMILESCCCn1ccnc(N(CCC#N)CCOC)c1=O
InChIInChI=1S/C13H20N4O2/c1-3-7-17-9-6-15-12(13(17)18)16(8-4-5-14)10-11-19-2/h6,9H,3-4,7-8,10-11H2,1-2H3
InChIKeyQAHSUPNZCVICJM-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.02
Rot. Bonds8

About 3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile

3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile (PubChem CID 63286547) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile
PubChem CID63286547
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile
SMILESCCCn1ccnc(N(CCC#N)CCOC)c1=O
InChIInChI=1S/C13H20N4O2/c1-3-7-17-9-6-15-12(13(17)18)16(8-4-5-14)10-11-19-2/h6,9H,3-4,7-8,10-11H2,1-2H3
InChIKeyQAHSUPNZCVICJM-UHFFFAOYSA-N
XLogP1.02
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-(Morpholin-4-YL)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015107
1-(2-Methylpropyl)-3-(morpholin-4-YL)-1,2-dihydropyrazin-2-one
CID 53015108
Methyl 2-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]acetate
CID 55152856
2-Methyl-3-[methyl-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanenitrile
CID 55156403
2-Methyl-3-[methyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile
CID 55156404
3-[2-Methylpropyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile
CID 55156790
3-[2-[2-Methoxyethyl(methyl)amino]ethylamino]-1-propylpyrazin-2-one
CID 55156809
3-[3-Aminopropyl(2-methoxyethyl)amino]-1-methylpyrazin-2-one
CID 55171897
3-[3-Aminopropyl(2-methoxyethyl)amino]-1-propylpyrazin-2-one
CID 55171898
3-[2-Methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
CID 55172487
3-[Ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
CID 55208999
3-[(4-Ethyl-3-oxopyrazin-2-yl)-methylamino]propanenitrile
CID 55209211

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile (CID 63286547) is 3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile is CCCn1ccnc(N(CCC#N)CCOC)c1=O.
What is the InChIKey of 3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile?
The InChIKey is QAHSUPNZCVICJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-7-17-9-6-15-12(13(17)18)16(8-4-5-14)10-11-19-2/h6,9H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile?
3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile has a molecular weight of 264.33 g/mol, XLogP of 1.02, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-(3-oxo-4-propylpyrazin-2-yl)amino]propanenitrile is sourced from PubChem (CID 63286547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).