2-butan-2-yl-6-phenylpyrazine

C14H16N2 — CID 139480999

IUPAC2-butan-2-yl-6-phenylpyrazine
SMILESCCC(C)c1cncc(-c2ccccc2)n1
InChIInChI=1S/C14H16N2/c1-3-11(2)13-9-15-10-14(16-13)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyMFAJYFDCCWRVED-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.66
Rot. Bonds3

About 2-butan-2-yl-6-phenylpyrazine

2-butan-2-yl-6-phenylpyrazine (PubChem CID 139480999) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-butan-2-yl-6-phenylpyrazine.

Molecular Properties

Compound Name2-butan-2-yl-6-phenylpyrazine
PubChem CID139480999
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name2-butan-2-yl-6-phenylpyrazine
SMILESCCC(C)c1cncc(-c2ccccc2)n1
InChIInChI=1S/C14H16N2/c1-3-11(2)13-9-15-10-14(16-13)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3
InChIKeyMFAJYFDCCWRVED-UHFFFAOYSA-N
XLogP3.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-phenylpyrazine?
The IUPAC name of 2-butan-2-yl-6-phenylpyrazine (CID 139480999) is 2-butan-2-yl-6-phenylpyrazine.
What is the SMILES notation for 2-butan-2-yl-6-phenylpyrazine?
The canonical SMILES for 2-butan-2-yl-6-phenylpyrazine is CCC(C)c1cncc(-c2ccccc2)n1.
What is the InChIKey of 2-butan-2-yl-6-phenylpyrazine?
The InChIKey is MFAJYFDCCWRVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-3-11(2)13-9-15-10-14(16-13)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-6-phenylpyrazine?
2-butan-2-yl-6-phenylpyrazine has a molecular weight of 212.30 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-phenylpyrazine is sourced from PubChem (CID 139480999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).