3-azido-2-methoxy-5-methylpyrazine

C6H7N5O — CID 134914131

IUPAC3-azido-2-methoxy-5-methylpyrazine
SMILESCOc1ncc(C)nc1N=[N+]=[N-]
InChIInChI=1S/C6H7N5O/c1-4-3-8-6(12-2)5(9-4)10-11-7/h3H,1-2H3
InChIKeyCOTLMQJBFXVQDV-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.74
Rot. Bonds2

About 3-azido-2-methoxy-5-methylpyrazine

3-azido-2-methoxy-5-methylpyrazine (PubChem CID 134914131) has the molecular formula C6H7N5O and a molecular weight of 165.16 g/mol. Its IUPAC name is 3-azido-2-methoxy-5-methylpyrazine.

Molecular Properties

Compound Name3-azido-2-methoxy-5-methylpyrazine
PubChem CID134914131
Molecular FormulaC6H7N5O
Molecular Weight165.16 g/mol
Exact Mass165.07
IUPAC Name3-azido-2-methoxy-5-methylpyrazine
SMILESCOc1ncc(C)nc1N=[N+]=[N-]
InChIInChI=1S/C6H7N5O/c1-4-3-8-6(12-2)5(9-4)10-11-7/h3H,1-2H3
InChIKeyCOTLMQJBFXVQDV-UHFFFAOYSA-N
XLogP1.74
TPSA83.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.74
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 3-azido-2-methoxy-5-methylpyrazine?
The IUPAC name of 3-azido-2-methoxy-5-methylpyrazine (CID 134914131) is 3-azido-2-methoxy-5-methylpyrazine.
What is the SMILES notation for 3-azido-2-methoxy-5-methylpyrazine?
The canonical SMILES for 3-azido-2-methoxy-5-methylpyrazine is COc1ncc(C)nc1N=[N+]=[N-].
What is the InChIKey of 3-azido-2-methoxy-5-methylpyrazine?
The InChIKey is COTLMQJBFXVQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5O/c1-4-3-8-6(12-2)5(9-4)10-11-7/h3H,1-2H3.
What are the key properties of 3-azido-2-methoxy-5-methylpyrazine?
3-azido-2-methoxy-5-methylpyrazine has a molecular weight of 165.16 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2-methoxy-5-methylpyrazine is sourced from PubChem (CID 134914131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).