5-methyl-2-pentyl-1,2-dihydropyrazine

C10H18N2 — CID 70235099

IUPAC5-methyl-2-pentyl-1,2-dihydropyrazine
SMILESCCCCCC1C=NC(C)=CN1
InChIInChI=1S/C10H18N2/c1-3-4-5-6-10-8-11-9(2)7-12-10/h7-8,10,12H,3-6H2,1-2H3
InChIKeyBLCRTTISXUXPPX-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.47
Rot. Bonds4

About 5-methyl-2-pentyl-1,2-dihydropyrazine

5-methyl-2-pentyl-1,2-dihydropyrazine (PubChem CID 70235099) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 5-methyl-2-pentyl-1,2-dihydropyrazine.

Molecular Properties

Compound Name5-methyl-2-pentyl-1,2-dihydropyrazine
PubChem CID70235099
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name5-methyl-2-pentyl-1,2-dihydropyrazine
SMILESCCCCCC1C=NC(C)=CN1
InChIInChI=1S/C10H18N2/c1-3-4-5-6-10-8-11-9(2)7-12-10/h7-8,10,12H,3-6H2,1-2H3
InChIKeyBLCRTTISXUXPPX-UHFFFAOYSA-N
XLogP2.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
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 5-methyl-2-pentyl-1,2-dihydropyrazine?
The IUPAC name of 5-methyl-2-pentyl-1,2-dihydropyrazine (CID 70235099) is 5-methyl-2-pentyl-1,2-dihydropyrazine.
What is the SMILES notation for 5-methyl-2-pentyl-1,2-dihydropyrazine?
The canonical SMILES for 5-methyl-2-pentyl-1,2-dihydropyrazine is CCCCCC1C=NC(C)=CN1.
What is the InChIKey of 5-methyl-2-pentyl-1,2-dihydropyrazine?
The InChIKey is BLCRTTISXUXPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-5-6-10-8-11-9(2)7-12-10/h7-8,10,12H,3-6H2,1-2H3.
What are the key properties of 5-methyl-2-pentyl-1,2-dihydropyrazine?
5-methyl-2-pentyl-1,2-dihydropyrazine has a molecular weight of 166.27 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-pentyl-1,2-dihydropyrazine is sourced from PubChem (CID 70235099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).