2-pyrrolo[1,2-a]pyrazin-6-ylethanamine

C9H11N3 — CID 82415390

IUPAC2-pyrrolo[1,2-a]pyrazin-6-ylethanamine
SMILESNCCc1ccc2cnccn12
InChIInChI=1S/C9H11N3/c10-4-3-8-1-2-9-7-11-5-6-12(8)9/h1-2,5-7H,3-4,10H2
InChIKeyJYWAXHUFVJCPHW-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.84
Rot. Bonds2

About 2-pyrrolo[1,2-a]pyrazin-6-ylethanamine

2-pyrrolo[1,2-a]pyrazin-6-ylethanamine (PubChem CID 82415390) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-pyrrolo[1,2-a]pyrazin-6-ylethanamine.

Molecular Properties

Compound Name2-pyrrolo[1,2-a]pyrazin-6-ylethanamine
PubChem CID82415390
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-pyrrolo[1,2-a]pyrazin-6-ylethanamine
SMILESNCCc1ccc2cnccn12
InChIInChI=1S/C9H11N3/c10-4-3-8-1-2-9-7-11-5-6-12(8)9/h1-2,5-7H,3-4,10H2
InChIKeyJYWAXHUFVJCPHW-UHFFFAOYSA-N
XLogP0.84
TPSA43.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolo[1,2-a]pyrazin-6-ylethanamine?
The IUPAC name of 2-pyrrolo[1,2-a]pyrazin-6-ylethanamine (CID 82415390) is 2-pyrrolo[1,2-a]pyrazin-6-ylethanamine.
What is the SMILES notation for 2-pyrrolo[1,2-a]pyrazin-6-ylethanamine?
The canonical SMILES for 2-pyrrolo[1,2-a]pyrazin-6-ylethanamine is NCCc1ccc2cnccn12.
What is the InChIKey of 2-pyrrolo[1,2-a]pyrazin-6-ylethanamine?
The InChIKey is JYWAXHUFVJCPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-4-3-8-1-2-9-7-11-5-6-12(8)9/h1-2,5-7H,3-4,10H2.
What are the key properties of 2-pyrrolo[1,2-a]pyrazin-6-ylethanamine?
2-pyrrolo[1,2-a]pyrazin-6-ylethanamine has a molecular weight of 161.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolo[1,2-a]pyrazin-6-ylethanamine is sourced from PubChem (CID 82415390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).