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

C15H21N3O2 — CID 67369782

IUPAC1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one
SMILESCCC(C)Oc1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1
InChIInChI=1S/C15H21N3O2/c1-6-9(2)20-11-8-17-14-12(18-11)10(7-16-14)13(19)15(3,4)5/h7-9H,6H2,1-5H3,(H,16,17)
InChIKeyUHTQUGHMIDCEAD-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.36
Rot. Bonds4

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

1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one (PubChem CID 67369782) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one
PubChem CID67369782
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one
SMILESCCC(C)Oc1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1
InChIInChI=1S/C15H21N3O2/c1-6-9(2)20-11-8-17-14-12(18-11)10(7-16-14)13(19)15(3,4)5/h7-9H,6H2,1-5H3,(H,16,17)
InChIKeyUHTQUGHMIDCEAD-UHFFFAOYSA-N
XLogP3.36
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one (CID 67369782) is 1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one is CCC(C)Oc1cnc2[nH]cc(C(=O)C(C)(C)C)c2n1.
What is the InChIKey of 1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one?
The InChIKey is UHTQUGHMIDCEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-6-9(2)20-11-8-17-14-12(18-11)10(7-16-14)13(19)15(3,4)5/h7-9H,6H2,1-5H3,(H,16,17).
What are the key properties of 1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one?
1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one has a molecular weight of 275.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yloxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 67369782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).