7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine

C7H8N3+ — CID 123260315

IUPAC7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine
SMILESNc1ncc[n+]2c1=CCC=2
InChIInChI=1S/C7H8N3/c8-7-6-2-1-4-10(6)5-3-9-7/h2-5H,1H2,(H2,8,9)/q+1
InChIKeyPUCFTURRAKFKLR-UHFFFAOYSA-N
MW134.16 g/mol
LogP-0.85
Rot. Bonds

About 7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine

7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine (PubChem CID 123260315) has the molecular formula C7H8N3+ and a molecular weight of 134.16 g/mol. Its IUPAC name is 7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine.

Molecular Properties

Compound Name7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine
PubChem CID123260315
Molecular FormulaC7H8N3+
Molecular Weight134.16 g/mol
Exact Mass134.07
IUPAC Name7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine
SMILESNc1ncc[n+]2c1=CCC=2
InChIInChI=1S/C7H8N3/c8-7-6-2-1-4-10(6)5-3-9-7/h2-5H,1H2,(H2,8,9)/q+1
InChIKeyPUCFTURRAKFKLR-UHFFFAOYSA-N
XLogP-0.85
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-6H-imidazo[4,5-b]pyridin-4-ium
CID 56990879
4-amino-N'-ethenyl-3H-pyrrole-5-carboximidamide
CID 135227385

Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine?
The IUPAC name of 7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine (CID 123260315) is 7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine.
What is the SMILES notation for 7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine?
The canonical SMILES for 7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine is Nc1ncc[n+]2c1=CCC=2.
What is the InChIKey of 7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine?
The InChIKey is PUCFTURRAKFKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N3/c8-7-6-2-1-4-10(6)5-3-9-7/h2-5H,1H2,(H2,8,9)/q+1.
What are the key properties of 7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine?
7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine has a molecular weight of 134.16 g/mol, XLogP of -0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[1,2-a]pyrazin-5-ium-1-amine is sourced from PubChem (CID 123260315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).