1-amino-2-pyrazin-2-ylethanol

C6H9N3O — CID 57120193

IUPAC1-amino-2-pyrazin-2-ylethanol
SMILESNC(O)Cc1cnccn1
InChIInChI=1S/C6H9N3O/c7-6(10)3-5-4-8-1-2-9-5/h1-2,4,6,10H,3,7H2
InChIKeyREYXYUPANPTRQP-UHFFFAOYSA-N
MW139.16 g/mol
LogP-0.70
Rot. Bonds2

About 1-amino-2-pyrazin-2-ylethanol

1-amino-2-pyrazin-2-ylethanol (PubChem CID 57120193) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 1-amino-2-pyrazin-2-ylethanol.

Molecular Properties

Compound Name1-amino-2-pyrazin-2-ylethanol
PubChem CID57120193
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name1-amino-2-pyrazin-2-ylethanol
SMILESNC(O)Cc1cnccn1
InChIInChI=1S/C6H9N3O/c7-6(10)3-5-4-8-1-2-9-5/h1-2,4,6,10H,3,7H2
InChIKeyREYXYUPANPTRQP-UHFFFAOYSA-N
XLogP-0.70
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-2-pyrazin-2-ylethanol?
The IUPAC name of 1-amino-2-pyrazin-2-ylethanol (CID 57120193) is 1-amino-2-pyrazin-2-ylethanol.
What is the SMILES notation for 1-amino-2-pyrazin-2-ylethanol?
The canonical SMILES for 1-amino-2-pyrazin-2-ylethanol is NC(O)Cc1cnccn1.
What is the InChIKey of 1-amino-2-pyrazin-2-ylethanol?
The InChIKey is REYXYUPANPTRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c7-6(10)3-5-4-8-1-2-9-5/h1-2,4,6,10H,3,7H2.
What are the key properties of 1-amino-2-pyrazin-2-ylethanol?
1-amino-2-pyrazin-2-ylethanol has a molecular weight of 139.16 g/mol, XLogP of -0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-pyrazin-2-ylethanol is sourced from PubChem (CID 57120193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).