2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine

C9H8BrN7 — CID 126484576

IUPAC2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine
SMILESCc1nn(-c2nccnc2N=[N+]=[N-])c(C)c1Br
InChIInChI=1S/C9H8BrN7/c1-5-7(10)6(2)17(15-5)9-8(14-16-11)12-3-4-13-9/h3-4H,1-2H3
InChIKeyRMSBZJDMCCKXBV-UHFFFAOYSA-N
MW294.12 g/mol
LogP2.98
Rot. Bonds2

About 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine

2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine (PubChem CID 126484576) has the molecular formula C9H8BrN7 and a molecular weight of 294.12 g/mol. Its IUPAC name is 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine
PubChem CID126484576
Molecular FormulaC9H8BrN7
Molecular Weight294.12 g/mol
Exact Mass293.00
IUPAC Name2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine
SMILESCc1nn(-c2nccnc2N=[N+]=[N-])c(C)c1Br
InChIInChI=1S/C9H8BrN7/c1-5-7(10)6(2)17(15-5)9-8(14-16-11)12-3-4-13-9/h3-4H,1-2H3
InChIKeyRMSBZJDMCCKXBV-UHFFFAOYSA-N
XLogP2.98
TPSA92.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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CID 56823381
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CID 129611617
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CID 136528533
CID 136528533
CID 174731373
CID 174731373
CID 169409428
CID 169409428
CID 178250535
CID 178250535
CID 55039040
CID 55039040
CID 64585092
CID 64585092
CID 72008403
CID 72008403
CID 72024811
CID 72024811

Frequently Asked Questions

What is the IUPAC name of 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine?
The IUPAC name of 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine (CID 126484576) is 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine.
What is the SMILES notation for 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine?
The canonical SMILES for 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine is Cc1nn(-c2nccnc2N=[N+]=[N-])c(C)c1Br.
What is the InChIKey of 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine?
The InChIKey is RMSBZJDMCCKXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN7/c1-5-7(10)6(2)17(15-5)9-8(14-16-11)12-3-4-13-9/h3-4H,1-2H3.
What are the key properties of 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine?
2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine has a molecular weight of 294.12 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-(4-bromo-3,5-dimethylpyrazol-1-yl)pyrazine is sourced from PubChem (CID 126484576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).