2-azido-3,5-dimethyl(115N)pyrazine

C6H7N5 — CID 135052183

IUPAC2-azido-3,5-dimethyl(115N)pyrazine
SMILESCc1c[15n]c(N=[N+]=[N-])c(C)n1
InChIInChI=1S/C6H7N5/c1-4-3-8-6(10-11-7)5(2)9-4/h3H,1-2H3/i8+1
InChIKeyNEGSEMBUEVOBFY-VJJZLTLGSA-N
MW150.15 g/mol
LogP2.04
Rot. Bonds1

About 2-azido-3,5-dimethyl(115N)pyrazine

2-azido-3,5-dimethyl(115N)pyrazine (PubChem CID 135052183) has the molecular formula C6H7N5 and a molecular weight of 150.15 g/mol. Its IUPAC name is 2-azido-3,5-dimethyl(115N)pyrazine.

Molecular Properties

Compound Name2-azido-3,5-dimethyl(115N)pyrazine
PubChem CID135052183
Molecular FormulaC6H7N5
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name2-azido-3,5-dimethyl(115N)pyrazine
SMILESCc1c[15n]c(N=[N+]=[N-])c(C)n1
InChIInChI=1S/C6H7N5/c1-4-3-8-6(10-11-7)5(2)9-4/h3H,1-2H3/i8+1
InChIKeyNEGSEMBUEVOBFY-VJJZLTLGSA-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 ≤ 500150.15
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-3,5-dimethyl(115N)pyrazine?
The IUPAC name of 2-azido-3,5-dimethyl(115N)pyrazine (CID 135052183) is 2-azido-3,5-dimethyl(115N)pyrazine.
What is the SMILES notation for 2-azido-3,5-dimethyl(115N)pyrazine?
The canonical SMILES for 2-azido-3,5-dimethyl(115N)pyrazine is Cc1c[15n]c(N=[N+]=[N-])c(C)n1.
What is the InChIKey of 2-azido-3,5-dimethyl(115N)pyrazine?
The InChIKey is NEGSEMBUEVOBFY-VJJZLTLGSA-N. The full InChI is InChI=1S/C6H7N5/c1-4-3-8-6(10-11-7)5(2)9-4/h3H,1-2H3/i8+1.
What are the key properties of 2-azido-3,5-dimethyl(115N)pyrazine?
2-azido-3,5-dimethyl(115N)pyrazine has a molecular weight of 150.15 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 2-azido-3,5-dimethyl(115N)pyrazine is sourced from PubChem (CID 135052183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).