5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine

C11H18N4O — CID 66699694

IUPAC5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine
SMILESNc1ncc(CCC2CCOCC2)nc1N
InChIInChI=1S/C11H18N4O/c12-10-11(13)15-9(7-14-10)2-1-8-3-5-16-6-4-8/h7-8H,1-6H2,(H2,12,14)(H2,13,15)
InChIKeyNLSKPJCJQNGDGJ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.00
Rot. Bonds3

About 5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine

5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine (PubChem CID 66699694) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine
PubChem CID66699694
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine
SMILESNc1ncc(CCC2CCOCC2)nc1N
InChIInChI=1S/C11H18N4O/c12-10-11(13)15-9(7-14-10)2-1-8-3-5-16-6-4-8/h7-8H,1-6H2,(H2,12,14)(H2,13,15)
InChIKeyNLSKPJCJQNGDGJ-UHFFFAOYSA-N
XLogP1.00
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine 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 5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine?
The IUPAC name of 5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine (CID 66699694) is 5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine.
What is the SMILES notation for 5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine?
The canonical SMILES for 5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine is Nc1ncc(CCC2CCOCC2)nc1N.
What is the InChIKey of 5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine?
The InChIKey is NLSKPJCJQNGDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c12-10-11(13)15-9(7-14-10)2-1-8-3-5-16-6-4-8/h7-8H,1-6H2,(H2,12,14)(H2,13,15).
What are the key properties of 5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine?
5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-4-yl)ethyl]pyrazine-2,3-diamine is sourced from PubChem (CID 66699694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).