2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine

C10H15BrN2 — CID 11665920

IUPAC2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine
SMILESCC(C)c1cnc(C(C)(C)Br)cn1
InChIInChI=1S/C10H15BrN2/c1-7(2)8-5-13-9(6-12-8)10(3,4)11/h5-7H,1-4H3
InChIKeyDYIKPLASNMAVQZ-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.23
Rot. Bonds2

About 2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine

2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine (PubChem CID 11665920) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine.

Molecular Properties

Compound Name2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine
PubChem CID11665920
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine
SMILESCC(C)c1cnc(C(C)(C)Br)cn1
InChIInChI=1S/C10H15BrN2/c1-7(2)8-5-13-9(6-12-8)10(3,4)11/h5-7H,1-4H3
InChIKeyDYIKPLASNMAVQZ-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine?
The IUPAC name of 2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine (CID 11665920) is 2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine.
What is the SMILES notation for 2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine?
The canonical SMILES for 2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine is CC(C)c1cnc(C(C)(C)Br)cn1.
What is the InChIKey of 2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine?
The InChIKey is DYIKPLASNMAVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-7(2)8-5-13-9(6-12-8)10(3,4)11/h5-7H,1-4H3.
What are the key properties of 2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine?
2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine has a molecular weight of 243.15 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromopropan-2-yl)-5-propan-2-ylpyrazine is sourced from PubChem (CID 11665920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).