1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone

C12H15N3O — CID 158280272

IUPAC1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone
SMILESCC(=O)c1cnc2c(n1)c(C(C)C)cn2C
InChIInChI=1S/C12H15N3O/c1-7(2)9-6-15(4)12-11(9)14-10(5-13-12)8(3)16/h5-7H,1-4H3
InChIKeyPGZGBPVTOVGMLS-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.29
Rot. Bonds2

About 1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone

1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone (PubChem CID 158280272) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone
PubChem CID158280272
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone
SMILESCC(=O)c1cnc2c(n1)c(C(C)C)cn2C
InChIInChI=1S/C12H15N3O/c1-7(2)9-6-15(4)12-11(9)14-10(5-13-12)8(3)16/h5-7H,1-4H3
InChIKeyPGZGBPVTOVGMLS-UHFFFAOYSA-N
XLogP2.29
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 175936626
4-iodo-7-methyl-5-propan-2-ylpyrrolo[2,3-d]pyrimidine
CID 145275680
1-pyrido[3,4-b]pyrazin-3-ylethanone
CID 84654616
ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine
CID 177241545
3,6-diacetylpyrazine-2-carboxamide
CID 155203547
1-(6-acetyl-2-pyridinyl)ethanone;bis(2,6-di(propan-2-yl)aniline)
CID 122573036
1-(1-methylpyrrolo[3,2-c]pyridin-6-yl)ethanone
CID 154728046
2-bromo-7-iodo-5-methylpyrrolo[2,3-b]pyrazine
CID 121231693
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
CID 82376195
1-(5-propan-2-ylpyrimidin-2-yl)ethanone
CID 83914336
5-acetyl-1-methyl-2,3-di(propan-2-yl)pyridin-4-one
CID 59889187
2-(1-methyl-4-propan-2-ylimidazol-2-yl)acetic acid
CID 82373929

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone?
The IUPAC name of 1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone (CID 158280272) is 1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone?
The canonical SMILES for 1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone is CC(=O)c1cnc2c(n1)c(C(C)C)cn2C.
What is the InChIKey of 1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone?
The InChIKey is PGZGBPVTOVGMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-7(2)9-6-15(4)12-11(9)14-10(5-13-12)8(3)16/h5-7H,1-4H3.
What are the key properties of 1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone?
1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone has a molecular weight of 217.27 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-7-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)ethanone is sourced from PubChem (CID 158280272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).