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

C10H14N4O — CID 55208999

IUPAC3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
SMILESCCN(CCC#N)c1nccn(C)c1=O
InChIInChI=1S/C10H14N4O/c1-3-14(7-4-5-11)9-10(15)13(2)8-6-12-9/h6,8H,3-4,7H2,1-2H3
InChIKeyQRRKAJXNJROSAK-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.52
Rot. Bonds4

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

3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile (PubChem CID 55208999) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
PubChem CID55208999
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile
SMILESCCN(CCC#N)c1nccn(C)c1=O
InChIInChI=1S/C10H14N4O/c1-3-14(7-4-5-11)9-10(15)13(2)8-6-12-9/h6,8H,3-4,7H2,1-2H3
InChIKeyQRRKAJXNJROSAK-UHFFFAOYSA-N
XLogP0.52
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[ethyl-(4-methyl-3-oxopyrazin-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

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile?
The IUPAC name of 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile (CID 55208999) is 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile is CCN(CCC#N)c1nccn(C)c1=O.
What is the InChIKey of 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile?
The InChIKey is QRRKAJXNJROSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-3-14(7-4-5-11)9-10(15)13(2)8-6-12-9/h6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile?
3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile has a molecular weight of 206.25 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-methyl-3-oxopyrazin-2-yl)amino]propanenitrile is sourced from PubChem (CID 55208999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).