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

C13H19N3O2 — CID 143854102

IUPAC1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol
SMILESCC(O)c1cnc2[nH]cc(C(O)C(C)(C)C)c2n1
InChIInChI=1S/C13H19N3O2/c1-7(17)9-6-15-12-10(16-9)8(5-14-12)11(18)13(2,3)4/h5-7,11,17-18H,1-4H3,(H,14,15)
InChIKeyHZRGAIDSNILNGL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.09
Rot. Bonds2

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

1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol (PubChem CID 143854102) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol
PubChem CID143854102
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol
SMILESCC(O)c1cnc2[nH]cc(C(O)C(C)(C)C)c2n1
InChIInChI=1S/C13H19N3O2/c1-7(17)9-6-15-12-10(16-9)8(5-14-12)11(18)13(2,3)4/h5-7,11,17-18H,1-4H3,(H,14,15)
InChIKeyHZRGAIDSNILNGL-UHFFFAOYSA-N
XLogP2.09
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol (CID 143854102) is 1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol is CC(O)c1cnc2[nH]cc(C(O)C(C)(C)C)c2n1.
What is the InChIKey of 1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol?
The InChIKey is HZRGAIDSNILNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-7(17)9-6-15-12-10(16-9)8(5-14-12)11(18)13(2,3)4/h5-7,11,17-18H,1-4H3,(H,14,15).
What are the key properties of 1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol?
1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol has a molecular weight of 249.31 g/mol, XLogP of 2.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 143854102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).