1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one

C11H14N4O — CID 67371590

IUPAC1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(N)nc12
InChIInChI=1S/C11H14N4O/c1-11(2,3)9(16)6-4-13-10-8(6)15-7(12)5-14-10/h4-5H,1-3H3,(H2,12,15)(H,13,14)
InChIKeyWHWOCBBBKLLVSE-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.77
Rot. Bonds1

About 1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one

1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one (PubChem CID 67371590) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one
PubChem CID67371590
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(N)nc12
InChIInChI=1S/C11H14N4O/c1-11(2,3)9(16)6-4-13-10-8(6)15-7(12)5-14-10/h4-5H,1-3H3,(H2,12,15)(H,13,14)
InChIKeyWHWOCBBBKLLVSE-UHFFFAOYSA-N
XLogP1.77
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one (CID 67371590) is 1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1c[nH]c2ncc(N)nc12.
What is the InChIKey of 1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one?
The InChIKey is WHWOCBBBKLLVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-11(2,3)9(16)6-4-13-10-8(6)15-7(12)5-14-10/h4-5H,1-3H3,(H2,12,15)(H,13,14).
What are the key properties of 1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one?
1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one has a molecular weight of 218.26 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 67371590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).