1-propan-2-ylpyrazine

C7H10N2 — CID 130306158

IUPAC1-propan-2-ylpyrazine
SMILESCC(C)N1C=C=NC=C1
InChIInChI=1S/C7H10N2/c1-7(2)9-5-3-8-4-6-9/h3,5-7H,1-2H3
InChIKeyFKBIMNNOJRVNFM-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.37
Rot. Bonds1

About 1-propan-2-ylpyrazine

1-propan-2-ylpyrazine (PubChem CID 130306158) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-propan-2-ylpyrazine.

Molecular Properties

Compound Name1-propan-2-ylpyrazine
PubChem CID130306158
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-propan-2-ylpyrazine
SMILESCC(C)N1C=C=NC=C1
InChIInChI=1S/C7H10N2/c1-7(2)9-5-3-8-4-6-9/h3,5-7H,1-2H3
InChIKeyFKBIMNNOJRVNFM-UHFFFAOYSA-N
XLogP1.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrazine?
The IUPAC name of 1-propan-2-ylpyrazine (CID 130306158) is 1-propan-2-ylpyrazine.
What is the SMILES notation for 1-propan-2-ylpyrazine?
The canonical SMILES for 1-propan-2-ylpyrazine is CC(C)N1C=C=NC=C1.
What is the InChIKey of 1-propan-2-ylpyrazine?
The InChIKey is FKBIMNNOJRVNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-7(2)9-5-3-8-4-6-9/h3,5-7H,1-2H3.
What are the key properties of 1-propan-2-ylpyrazine?
1-propan-2-ylpyrazine has a molecular weight of 122.17 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrazine is sourced from PubChem (CID 130306158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).