3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile

C11H16N4O2 — CID 55172487

IUPAC3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1nccn(C)c1=O
InChIInChI=1S/C11H16N4O2/c1-14-7-5-13-10(11(14)16)15(6-3-4-12)8-9-17-2/h5,7H,3,6,8-9H2,1-2H3
InChIKeyFLNNIGGPIQJALR-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.15
Rot. Bonds6

About 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile

3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile (PubChem CID 55172487) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
PubChem CID55172487
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1nccn(C)c1=O
InChIInChI=1S/C11H16N4O2/c1-14-7-5-13-10(11(14)16)15(6-3-4-12)8-9-17-2/h5,7H,3,6,8-9H2,1-2H3
InChIKeyFLNNIGGPIQJALR-UHFFFAOYSA-N
XLogP0.15
TPSA71.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile (CID 55172487) is 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile is COCCN(CCC#N)c1nccn(C)c1=O.
What is the InChIKey of 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile?
The InChIKey is FLNNIGGPIQJALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-14-7-5-13-10(11(14)16)15(6-3-4-12)8-9-17-2/h5,7H,3,6,8-9H2,1-2H3.
What are the key properties of 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile?
3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile has a molecular weight of 236.27 g/mol, XLogP of 0.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile is sourced from PubChem (CID 55172487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).