1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone

C9H10N4O — CID 155573691

IUPAC1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone
SMILESCNc1cnc2c(ccn2C(C)=O)n1
InChIInChI=1S/C9H10N4O/c1-6(14)13-4-3-7-9(13)11-5-8(10-2)12-7/h3-5H,1-2H3,(H,10,12)
InChIKeyDDJPFIJXWDFGNS-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.13
Rot. Bonds1

About 1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone

1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone (PubChem CID 155573691) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone
PubChem CID155573691
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone
SMILESCNc1cnc2c(ccn2C(C)=O)n1
InChIInChI=1S/C9H10N4O/c1-6(14)13-4-3-7-9(13)11-5-8(10-2)12-7/h3-5H,1-2H3,(H,10,12)
InChIKeyDDJPFIJXWDFGNS-UHFFFAOYSA-N
XLogP1.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone?
The IUPAC name of 1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone (CID 155573691) is 1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone?
The canonical SMILES for 1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone is CNc1cnc2c(ccn2C(C)=O)n1.
What is the InChIKey of 1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone?
The InChIKey is DDJPFIJXWDFGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6(14)13-4-3-7-9(13)11-5-8(10-2)12-7/h3-5H,1-2H3,(H,10,12).
What are the key properties of 1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone?
1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone has a molecular weight of 190.21 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)pyrrolo[2,3-b]pyrazin-5-yl]ethanone is sourced from PubChem (CID 155573691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).