5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine

C10H20N2 — CID 67688279

IUPAC5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine
SMILESCCCCCN1CCNC=C1C
InChIInChI=1S/C10H20N2/c1-3-4-5-7-12-8-6-11-9-10(12)2/h9,11H,3-8H2,1-2H3
InChIKeyPALBVIBBVFRYFU-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.94
Rot. Bonds4

About 5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine

5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine (PubChem CID 67688279) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is 5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine.

Molecular Properties

Compound Name5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine
PubChem CID67688279
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine
SMILESCCCCCN1CCNC=C1C
InChIInChI=1S/C10H20N2/c1-3-4-5-7-12-8-6-11-9-10(12)2/h9,11H,3-8H2,1-2H3
InChIKeyPALBVIBBVFRYFU-UHFFFAOYSA-N
XLogP1.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.94
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-4-pentyl-2,3-dihydro-1H-pyrazine?
The IUPAC name of 5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine (CID 67688279) is 5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine.
What is the SMILES notation for 5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine?
The canonical SMILES for 5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine is CCCCCN1CCNC=C1C.
What is the InChIKey of 5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine?
The InChIKey is PALBVIBBVFRYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-3-4-5-7-12-8-6-11-9-10(12)2/h9,11H,3-8H2,1-2H3.
What are the key properties of 5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine?
5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine has a molecular weight of 168.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-pentyl-2,3-dihydro-1H-pyrazine is sourced from PubChem (CID 67688279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).