(3-aminophenyl)-pyrazin-2-ylmethanol

C11H11N3O — CID 106695903

IUPAC(3-aminophenyl)-pyrazin-2-ylmethanol
SMILESNc1cccc(C(O)c2cnccn2)c1
InChIInChI=1S/C11H11N3O/c12-9-3-1-2-8(6-9)11(15)10-7-13-4-5-14-10/h1-7,11,15H,12H2
InChIKeyKWBBBTAOSKOTMP-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.14
Rot. Bonds2

About (3-aminophenyl)-pyrazin-2-ylmethanol

(3-aminophenyl)-pyrazin-2-ylmethanol (PubChem CID 106695903) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is (3-aminophenyl)-pyrazin-2-ylmethanol.

Molecular Properties

Compound Name(3-aminophenyl)-pyrazin-2-ylmethanol
PubChem CID106695903
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name(3-aminophenyl)-pyrazin-2-ylmethanol
SMILESNc1cccc(C(O)c2cnccn2)c1
InChIInChI=1S/C11H11N3O/c12-9-3-1-2-8(6-9)11(15)10-7-13-4-5-14-10/h1-7,11,15H,12H2
InChIKeyKWBBBTAOSKOTMP-UHFFFAOYSA-N
XLogP1.14
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-aminophenyl)-pyrazin-2-ylmethanol?
The IUPAC name of (3-aminophenyl)-pyrazin-2-ylmethanol (CID 106695903) is (3-aminophenyl)-pyrazin-2-ylmethanol.
What is the SMILES notation for (3-aminophenyl)-pyrazin-2-ylmethanol?
The canonical SMILES for (3-aminophenyl)-pyrazin-2-ylmethanol is Nc1cccc(C(O)c2cnccn2)c1.
What is the InChIKey of (3-aminophenyl)-pyrazin-2-ylmethanol?
The InChIKey is KWBBBTAOSKOTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c12-9-3-1-2-8(6-9)11(15)10-7-13-4-5-14-10/h1-7,11,15H,12H2.
What are the key properties of (3-aminophenyl)-pyrazin-2-ylmethanol?
(3-aminophenyl)-pyrazin-2-ylmethanol has a molecular weight of 201.23 g/mol, XLogP of 1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminophenyl)-pyrazin-2-ylmethanol is sourced from PubChem (CID 106695903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).