1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C15H26N2 — CID 59486369

IUPAC1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)C1c2cccn2CCN1C(C)(C)C
InChIInChI=1S/C15H26N2/c1-14(2,3)13-12-8-7-9-16(12)10-11-17(13)15(4,5)6/h7-9,13H,10-11H2,1-6H3
InChIKeySUFBFHSKNRPBMG-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.69
Rot. Bonds

About 1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 59486369) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID59486369
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESCC(C)(C)C1c2cccn2CCN1C(C)(C)C
InChIInChI=1S/C15H26N2/c1-14(2,3)13-12-8-7-9-16(12)10-11-17(13)15(4,5)6/h7-9,13H,10-11H2,1-6H3
InChIKeySUFBFHSKNRPBMG-UHFFFAOYSA-N
XLogP3.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 59486369) is 1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is CC(C)(C)C1c2cccn2CCN1C(C)(C)C.
What is the InChIKey of 1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is SUFBFHSKNRPBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-14(2,3)13-12-8-7-9-16(12)10-11-17(13)15(4,5)6/h7-9,13H,10-11H2,1-6H3.
What are the key properties of 1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 234.39 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-ditert-butyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 59486369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).