(1S)-2-azido-1-pyrazin-2-ylethanol

C6H7N5O — CID 83092675

IUPAC(1S)-2-azido-1-pyrazin-2-ylethanol
SMILES[N-]=[N+]=NC[C@H](O)c1cnccn1
InChIInChI=1S/C6H7N5O/c7-11-10-4-6(12)5-3-8-1-2-9-5/h1-3,6,12H,4H2/t6-/m0/s1
InChIKeyZWDUKOMNYGYXQG-LURJTMIESA-N
MW165.16 g/mol
LogP0.82
Rot. Bonds3

About (1S)-2-azido-1-pyrazin-2-ylethanol

(1S)-2-azido-1-pyrazin-2-ylethanol (PubChem CID 83092675) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is (1S)-2-azido-1-pyrazin-2-ylethanol.

Molecular Properties

Compound Name(1S)-2-azido-1-pyrazin-2-ylethanol
PubChem CID83092675
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name(1S)-2-azido-1-pyrazin-2-ylethanol
SMILES[N-]=[N+]=NC[C@H](O)c1cnccn1
InChIInChI=1S/C6H7N5O/c7-11-10-4-6(12)5-3-8-1-2-9-5/h1-3,6,12H,4H2/t6-/m0/s1
InChIKeyZWDUKOMNYGYXQG-LURJTMIESA-N
XLogP0.82
TPSA94.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(1S)-2-azido-1-pyrimidin-4-ylethanol
CID 131164737
(1R)-2-chloro-1-pyrazin-2-ylethanol
CID 55298108
(1S)-3-amino-1-pyrazin-2-ylpropan-1-ol
CID 96734232
(1S)-2-(methylamino)-1-pyrazin-2-ylethanol
CID 96734230
4-pyrazin-2-ylbutane-1,1,1,4-tetrol
CID 87881315
2-azido-1-(1-methyltriazol-4-yl)ethanol
CID 165492311
3-methoxy-1-pyrazin-2-ylpropan-1-ol
CID 62608017
3-methylsulfonyl-1-pyrazin-2-ylpropan-1-ol
CID 62605954
3-propan-2-yloxy-1-pyrazin-2-ylpropan-1-ol
CID 114997368
3-azido-1-(3-bromo-4-pyridinyl)propane-1,2-diol
CID 170827435
3-(3-methylbutoxy)-1-pyrazin-2-ylpropan-1-ol
CID 115001589
1-pyrazin-2-yl-2-(3H-pyrrol-5-yl)ethanol
CID 20641667

Frequently Asked Questions

What is the IUPAC name of (1S)-2-azido-1-pyrazin-2-ylethanol?
The IUPAC name of (1S)-2-azido-1-pyrazin-2-ylethanol (CID 83092675) is (1S)-2-azido-1-pyrazin-2-ylethanol.
What is the SMILES notation for (1S)-2-azido-1-pyrazin-2-ylethanol?
The canonical SMILES for (1S)-2-azido-1-pyrazin-2-ylethanol is [N-]=[N+]=NC[C@H](O)c1cnccn1.
What is the InChIKey of (1S)-2-azido-1-pyrazin-2-ylethanol?
The InChIKey is ZWDUKOMNYGYXQG-LURJTMIESA-N. The full InChI is InChI=1S/C6H7N5O/c7-11-10-4-6(12)5-3-8-1-2-9-5/h1-3,6,12H,4H2/t6-/m0/s1.
What are the key properties of (1S)-2-azido-1-pyrazin-2-ylethanol?
(1S)-2-azido-1-pyrazin-2-ylethanol has a molecular weight of 165.16 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-azido-1-pyrazin-2-ylethanol is sourced from PubChem (CID 83092675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).