3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine

C11H14N2 — CID 126551333

IUPAC3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine
SMILESCc1cn2cccc2c(C(C)C)n1
InChIInChI=1S/C11H14N2/c1-8(2)11-10-5-4-6-13(10)7-9(3)12-11/h4-8H,1-3H3
InChIKeyLTLQARVEESURHA-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.77
Rot. Bonds1

About 3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine

3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine (PubChem CID 126551333) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine
PubChem CID126551333
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine
SMILESCc1cn2cccc2c(C(C)C)n1
InChIInChI=1S/C11H14N2/c1-8(2)11-10-5-4-6-13(10)7-9(3)12-11/h4-8H,1-3H3
InChIKeyLTLQARVEESURHA-UHFFFAOYSA-N
XLogP2.77
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine (CID 126551333) is 3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine is Cc1cn2cccc2c(C(C)C)n1.
What is the InChIKey of 3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine?
The InChIKey is LTLQARVEESURHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(2)11-10-5-4-6-13(10)7-9(3)12-11/h4-8H,1-3H3.
What are the key properties of 3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine?
3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine has a molecular weight of 174.25 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 126551333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).