4-methoxy-1-pyrazin-2-ylbutan-1-amine

C9H15N3O — CID 62600110

IUPAC4-methoxy-1-pyrazin-2-ylbutan-1-amine
SMILESCOCCCC(N)c1cnccn1
InChIInChI=1S/C9H15N3O/c1-13-6-2-3-8(10)9-7-11-4-5-12-9/h4-5,7-8H,2-3,6,10H2,1H3
InChIKeyYWZYXJPYTMWYDL-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.90
Rot. Bonds5

About 4-methoxy-1-pyrazin-2-ylbutan-1-amine

4-methoxy-1-pyrazin-2-ylbutan-1-amine (PubChem CID 62600110) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-methoxy-1-pyrazin-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-pyrazin-2-ylbutan-1-amine
PubChem CID62600110
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-methoxy-1-pyrazin-2-ylbutan-1-amine
SMILESCOCCCC(N)c1cnccn1
InChIInChI=1S/C9H15N3O/c1-13-6-2-3-8(10)9-7-11-4-5-12-9/h4-5,7-8H,2-3,6,10H2,1H3
InChIKeyYWZYXJPYTMWYDL-UHFFFAOYSA-N
XLogP0.90
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-1-pyrazin-2-ylbutan-1-amine 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 4-methoxy-1-pyrazin-2-ylbutan-1-amine?
The IUPAC name of 4-methoxy-1-pyrazin-2-ylbutan-1-amine (CID 62600110) is 4-methoxy-1-pyrazin-2-ylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-pyrazin-2-ylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-pyrazin-2-ylbutan-1-amine is COCCCC(N)c1cnccn1.
What is the InChIKey of 4-methoxy-1-pyrazin-2-ylbutan-1-amine?
The InChIKey is YWZYXJPYTMWYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-13-6-2-3-8(10)9-7-11-4-5-12-9/h4-5,7-8H,2-3,6,10H2,1H3.
What are the key properties of 4-methoxy-1-pyrazin-2-ylbutan-1-amine?
4-methoxy-1-pyrazin-2-ylbutan-1-amine has a molecular weight of 181.24 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-pyrazin-2-ylbutan-1-amine is sourced from PubChem (CID 62600110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).