2,5-dimethyl-3-pentylpyrazine

C11H18N2 — CID 521746

IUPAC2,5-dimethyl-3-pentylpyrazine
SMILESCCCCCc1nc(C)cnc1C
InChIInChI=1S/C11H18N2/c1-4-5-6-7-11-10(3)12-8-9(2)13-11/h8H,4-7H2,1-3H3
InChIKeyVJNUCPVMBFFSSP-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.83
Rot. Bonds4

About 2,5-dimethyl-3-pentylpyrazine

2,5-dimethyl-3-pentylpyrazine (PubChem CID 521746) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2,5-dimethyl-3-pentylpyrazine.

Molecular Properties

Compound Name2,5-dimethyl-3-pentylpyrazine
PubChem CID521746
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2,5-dimethyl-3-pentylpyrazine
SMILESCCCCCc1nc(C)cnc1C
InChIInChI=1S/C11H18N2/c1-4-5-6-7-11-10(3)12-8-9(2)13-11/h8H,4-7H2,1-3H3
InChIKeyVJNUCPVMBFFSSP-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-pentylpyrazine?
The IUPAC name of 2,5-dimethyl-3-pentylpyrazine (CID 521746) is 2,5-dimethyl-3-pentylpyrazine.
What is the SMILES notation for 2,5-dimethyl-3-pentylpyrazine?
The canonical SMILES for 2,5-dimethyl-3-pentylpyrazine is CCCCCc1nc(C)cnc1C.
What is the InChIKey of 2,5-dimethyl-3-pentylpyrazine?
The InChIKey is VJNUCPVMBFFSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-5-6-7-11-10(3)12-8-9(2)13-11/h8H,4-7H2,1-3H3.
What are the key properties of 2,5-dimethyl-3-pentylpyrazine?
2,5-dimethyl-3-pentylpyrazine has a molecular weight of 178.28 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-pentylpyrazine is sourced from PubChem (CID 521746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).