2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

C14H25N3 — CID 170452391

IUPAC2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCCCCCC(CC)c1cn2c(n1)CNCC2
InChIInChI=1S/C14H25N3/c1-3-5-6-7-12(4-2)13-11-17-9-8-15-10-14(17)16-13/h11-12,15H,3-10H2,1-2H3
InChIKeyBIRCDGRHYXGRTH-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.06
Rot. Bonds6

About 2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine

2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (PubChem CID 170452391) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
PubChem CID170452391
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
SMILESCCCCCC(CC)c1cn2c(n1)CNCC2
InChIInChI=1S/C14H25N3/c1-3-5-6-7-12(4-2)13-11-17-9-8-15-10-14(17)16-13/h11-12,15H,3-10H2,1-2H3
InChIKeyBIRCDGRHYXGRTH-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The IUPAC name of 2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine (CID 170452391) is 2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The canonical SMILES for 2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is CCCCCC(CC)c1cn2c(n1)CNCC2.
What is the InChIKey of 2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
The InChIKey is BIRCDGRHYXGRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-5-6-7-12(4-2)13-11-17-9-8-15-10-14(17)16-13/h11-12,15H,3-10H2,1-2H3.
What are the key properties of 2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine?
2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine has a molecular weight of 235.37 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octan-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine is sourced from PubChem (CID 170452391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).