4-(pyrazin-2-ylmethoxy)aniline

C11H11N3O — CID 39204777

IUPAC4-(pyrazin-2-ylmethoxy)aniline
SMILESNc1ccc(OCc2cnccn2)cc1
InChIInChI=1S/C11H11N3O/c12-9-1-3-11(4-2-9)15-8-10-7-13-5-6-14-10/h1-7H,8,12H2
InChIKeyCXDYYUIVVLLYOE-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.64
Rot. Bonds3

About 4-(pyrazin-2-ylmethoxy)aniline

4-(pyrazin-2-ylmethoxy)aniline (PubChem CID 39204777) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(pyrazin-2-ylmethoxy)aniline.

Molecular Properties

Compound Name4-(pyrazin-2-ylmethoxy)aniline
PubChem CID39204777
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-(pyrazin-2-ylmethoxy)aniline
SMILESNc1ccc(OCc2cnccn2)cc1
InChIInChI=1S/C11H11N3O/c12-9-1-3-11(4-2-9)15-8-10-7-13-5-6-14-10/h1-7H,8,12H2
InChIKeyCXDYYUIVVLLYOE-UHFFFAOYSA-N
XLogP1.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrazin-2-ylmethoxy)aniline?
The IUPAC name of 4-(pyrazin-2-ylmethoxy)aniline (CID 39204777) is 4-(pyrazin-2-ylmethoxy)aniline.
What is the SMILES notation for 4-(pyrazin-2-ylmethoxy)aniline?
The canonical SMILES for 4-(pyrazin-2-ylmethoxy)aniline is Nc1ccc(OCc2cnccn2)cc1.
What is the InChIKey of 4-(pyrazin-2-ylmethoxy)aniline?
The InChIKey is CXDYYUIVVLLYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-9-1-3-11(4-2-9)15-8-10-7-13-5-6-14-10/h1-7H,8,12H2.
What are the key properties of 4-(pyrazin-2-ylmethoxy)aniline?
4-(pyrazin-2-ylmethoxy)aniline has a molecular weight of 201.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrazin-2-ylmethoxy)aniline is sourced from PubChem (CID 39204777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).