pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride

C9H10Cl2N2O2 — CID 175270706

IUPACpyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride
SMILESCC(=O)Oc1ccn2ccncc12.Cl.Cl
InChIInChI=1S/C9H8N2O2.2ClH/c1-7(12)13-9-2-4-11-5-3-10-6-8(9)11;;/h2-6H,1H3;2*1H
InChIKeyUUPDQTUJXAUUGC-UHFFFAOYSA-N
MW249.10 g/mol
LogP2.10
Rot. Bonds1

About pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride

pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride (PubChem CID 175270706) has the molecular formula C9H10Cl2N2O2 and a molecular weight of 249.10 g/mol. Its IUPAC name is pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride.

Molecular Properties

Compound Namepyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride
PubChem CID175270706
Molecular FormulaC9H10Cl2N2O2
Molecular Weight249.10 g/mol
Exact Mass248.01
IUPAC Namepyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride
SMILESCC(=O)Oc1ccn2ccncc12.Cl.Cl
InChIInChI=1S/C9H8N2O2.2ClH/c1-7(12)13-9-2-4-11-5-3-10-6-8(9)11;;/h2-6H,1H3;2*1H
InChIKeyUUPDQTUJXAUUGC-UHFFFAOYSA-N
XLogP2.10
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.10
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride?
The IUPAC name of pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride (CID 175270706) is pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride.
What is the SMILES notation for pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride?
The canonical SMILES for pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride is CC(=O)Oc1ccn2ccncc12.Cl.Cl.
What is the InChIKey of pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride?
The InChIKey is UUPDQTUJXAUUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2.2ClH/c1-7(12)13-9-2-4-11-5-3-10-6-8(9)11;;/h2-6H,1H3;2*1H.
What are the key properties of pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride?
pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride has a molecular weight of 249.10 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-a]pyrazin-8-yl acetate;dihydrochloride is sourced from PubChem (CID 175270706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).