3-azido-2,5-dimethylpyrazine

C6H7N5 — CID 13065041

IUPAC3-azido-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N=[N+]=[N-])n1
InChIInChI=1S/C6H7N5/c1-4-3-8-5(2)6(9-4)10-11-7/h3H,1-2H3
InChIKeySNSWHGVBOXMHAS-UHFFFAOYSA-N
MW149.16 g/mol
LogP2.04
Rot. Bonds1

About 3-azido-2,5-dimethylpyrazine

3-azido-2,5-dimethylpyrazine (PubChem CID 13065041) has the molecular formula C6H7N5 and a molecular weight of 149.16 g/mol. Its IUPAC name is 3-azido-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-azido-2,5-dimethylpyrazine
PubChem CID13065041
Molecular FormulaC6H7N5
Molecular Weight149.16 g/mol
Exact Mass149.07
IUPAC Name3-azido-2,5-dimethylpyrazine
SMILESCc1cnc(C)c(N=[N+]=[N-])n1
InChIInChI=1S/C6H7N5/c1-4-3-8-5(2)6(9-4)10-11-7/h3H,1-2H3
InChIKeySNSWHGVBOXMHAS-UHFFFAOYSA-N
XLogP2.04
TPSA74.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 3-azido-2,5-dimethylpyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-azido-2,5-dimethylpyrazine?
The IUPAC name of 3-azido-2,5-dimethylpyrazine (CID 13065041) is 3-azido-2,5-dimethylpyrazine.
What is the SMILES notation for 3-azido-2,5-dimethylpyrazine?
The canonical SMILES for 3-azido-2,5-dimethylpyrazine is Cc1cnc(C)c(N=[N+]=[N-])n1.
What is the InChIKey of 3-azido-2,5-dimethylpyrazine?
The InChIKey is SNSWHGVBOXMHAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N5/c1-4-3-8-5(2)6(9-4)10-11-7/h3H,1-2H3.
What are the key properties of 3-azido-2,5-dimethylpyrazine?
3-azido-2,5-dimethylpyrazine has a molecular weight of 149.16 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-2,5-dimethylpyrazine is sourced from PubChem (CID 13065041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).