2-azido-1-(5-methylpyrazin-2-yl)ethanone

C7H7N5O — CID 121394732

IUPAC2-azido-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)CN=[N+]=[N-])cn1
InChIInChI=1S/C7H7N5O/c1-5-2-10-6(3-9-5)7(13)4-11-12-8/h2-3H,4H2,1H3
InChIKeyQHBOVEXRCPBJNG-UHFFFAOYSA-N
MW177.17 g/mol
LogP1.28
Rot. Bonds3

About 2-azido-1-(5-methylpyrazin-2-yl)ethanone

2-azido-1-(5-methylpyrazin-2-yl)ethanone (PubChem CID 121394732) has the molecular formula C7H7N5O and a molecular weight of 177.17 g/mol. Its IUPAC name is 2-azido-1-(5-methylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name2-azido-1-(5-methylpyrazin-2-yl)ethanone
PubChem CID121394732
Molecular FormulaC7H7N5O
Molecular Weight177.17 g/mol
Exact Mass177.07
IUPAC Name2-azido-1-(5-methylpyrazin-2-yl)ethanone
SMILESCc1cnc(C(=O)CN=[N+]=[N-])cn1
InChIInChI=1S/C7H7N5O/c1-5-2-10-6(3-9-5)7(13)4-11-12-8/h2-3H,4H2,1H3
InChIKeyQHBOVEXRCPBJNG-UHFFFAOYSA-N
XLogP1.28
TPSA91.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 51.28
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-azido-1-(5-methylpyrazin-2-yl)ethanone?
The IUPAC name of 2-azido-1-(5-methylpyrazin-2-yl)ethanone (CID 121394732) is 2-azido-1-(5-methylpyrazin-2-yl)ethanone.
What is the SMILES notation for 2-azido-1-(5-methylpyrazin-2-yl)ethanone?
The canonical SMILES for 2-azido-1-(5-methylpyrazin-2-yl)ethanone is Cc1cnc(C(=O)CN=[N+]=[N-])cn1.
What is the InChIKey of 2-azido-1-(5-methylpyrazin-2-yl)ethanone?
The InChIKey is QHBOVEXRCPBJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5O/c1-5-2-10-6(3-9-5)7(13)4-11-12-8/h2-3H,4H2,1H3.
What are the key properties of 2-azido-1-(5-methylpyrazin-2-yl)ethanone?
2-azido-1-(5-methylpyrazin-2-yl)ethanone has a molecular weight of 177.17 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-1-(5-methylpyrazin-2-yl)ethanone is sourced from PubChem (CID 121394732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).