[3-(3-phenylpropoxy)pyrazin-2-yl]methanamine

C14H17N3O — CID 62684504

IUPAC[3-(3-phenylpropoxy)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1OCCCc1ccccc1
InChIInChI=1S/C14H17N3O/c15-11-13-14(17-9-8-16-13)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10-11,15H2
InChIKeyCWMLQGOAGSNTKF-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.95
Rot. Bonds6

About [3-(3-phenylpropoxy)pyrazin-2-yl]methanamine

[3-(3-phenylpropoxy)pyrazin-2-yl]methanamine (PubChem CID 62684504) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [3-(3-phenylpropoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[3-(3-phenylpropoxy)pyrazin-2-yl]methanamine
PubChem CID62684504
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[3-(3-phenylpropoxy)pyrazin-2-yl]methanamine
SMILESNCc1nccnc1OCCCc1ccccc1
InChIInChI=1S/C14H17N3O/c15-11-13-14(17-9-8-16-13)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10-11,15H2
InChIKeyCWMLQGOAGSNTKF-UHFFFAOYSA-N
XLogP1.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-(3-phenylpropoxy)pyrazin-2-yl]methanamine 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-(3-phenylpropoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [3-(3-phenylpropoxy)pyrazin-2-yl]methanamine (CID 62684504) is [3-(3-phenylpropoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [3-(3-phenylpropoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [3-(3-phenylpropoxy)pyrazin-2-yl]methanamine is NCc1nccnc1OCCCc1ccccc1.
What is the InChIKey of [3-(3-phenylpropoxy)pyrazin-2-yl]methanamine?
The InChIKey is CWMLQGOAGSNTKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-11-13-14(17-9-8-16-13)18-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9H,4,7,10-11,15H2.
What are the key properties of [3-(3-phenylpropoxy)pyrazin-2-yl]methanamine?
[3-(3-phenylpropoxy)pyrazin-2-yl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-phenylpropoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 62684504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).