3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one

C11H15N3O — CID 14082294

IUPAC3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one
SMILESCn1c(CCCN)cn2cccc2c1=O
InChIInChI=1S/C11H15N3O/c1-13-9(4-2-6-12)8-14-7-3-5-10(14)11(13)15/h3,5,7-8H,2,4,6,12H2,1H3
InChIKeyAYLROABPNJSWLK-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.53
Rot. Bonds3

About 3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one

3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one (PubChem CID 14082294) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one.

Molecular Properties

Compound Name3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one
PubChem CID14082294
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one
SMILESCn1c(CCCN)cn2cccc2c1=O
InChIInChI=1S/C11H15N3O/c1-13-9(4-2-6-12)8-14-7-3-5-10(14)11(13)15/h3,5,7-8H,2,4,6,12H2,1H3
InChIKeyAYLROABPNJSWLK-UHFFFAOYSA-N
XLogP0.53
TPSA52.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one?
The IUPAC name of 3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one (CID 14082294) is 3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one.
What is the SMILES notation for 3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one?
The canonical SMILES for 3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one is Cn1c(CCCN)cn2cccc2c1=O.
What is the InChIKey of 3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one?
The InChIKey is AYLROABPNJSWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13-9(4-2-6-12)8-14-7-3-5-10(14)11(13)15/h3,5,7-8H,2,4,6,12H2,1H3.
What are the key properties of 3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one?
3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one has a molecular weight of 205.26 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-2-methylpyrrolo[1,2-a]pyrazin-1-one is sourced from PubChem (CID 14082294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).