3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile

C10H13ClN4O — CID 63286441

IUPAC3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1cncc(Cl)n1
InChIInChI=1S/C10H13ClN4O/c1-16-6-5-15(4-2-3-12)10-8-13-7-9(11)14-10/h7-8H,2,4-6H2,1H3
InChIKeyWLVVNINNNFPXKB-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.50
Rot. Bonds6

About 3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile

3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile (PubChem CID 63286441) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile
PubChem CID63286441
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)c1cncc(Cl)n1
InChIInChI=1S/C10H13ClN4O/c1-16-6-5-15(4-2-3-12)10-8-13-7-9(11)14-10/h7-8H,2,4-6H2,1H3
InChIKeyWLVVNINNNFPXKB-UHFFFAOYSA-N
XLogP1.50
TPSA62.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)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-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile (CID 63286441) is 3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)c1cncc(Cl)n1.
What is the InChIKey of 3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is WLVVNINNNFPXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-16-6-5-15(4-2-3-12)10-8-13-7-9(11)14-10/h7-8H,2,4-6H2,1H3.
What are the key properties of 3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile?
3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 240.69 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-chloropyrazin-2-yl)-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63286441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).