2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol

C15H13N3O3 — CID 103128739

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)c1cnn2ccncc12
InChIInChI=1S/C15H13N3O3/c19-15(11-8-17-18-4-3-16-9-12(11)18)10-1-2-13-14(7-10)21-6-5-20-13/h1-4,7-9,15,19H,5-6H2
InChIKeyCADUHOOMEDTUMF-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.58
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol

2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol (PubChem CID 103128739) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol
PubChem CID103128739
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)c1cnn2ccncc12
InChIInChI=1S/C15H13N3O3/c19-15(11-8-17-18-4-3-16-9-12(11)18)10-1-2-13-14(7-10)21-6-5-20-13/h1-4,7-9,15,19H,5-6H2
InChIKeyCADUHOOMEDTUMF-UHFFFAOYSA-N
XLogP1.58
TPSA68.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethanol
CID 103128814
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methylpyrimidin-4-yl)methanol
CID 115527889
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(1-methylpyrazol-4-yl)methanol
CID 63894860
(4-chloro-1-methylpyrazol-5-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 114634286
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrazol-4-yl)methanol
CID 114993447
(2,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61101642
(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-imidazol-1-ylpropan-1-ol
CID 71135700
2,3-dihydro-1,4-benzodioxin-6-yl-(4-methylthiophen-3-yl)methanol
CID 79808329
2,3-dihydro-1,4-benzodioxin-6-yl-(2,5-dimethylthiophen-3-yl)methanol
CID 61086868
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methanol
CID 105094321
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol (CID 103128739) is 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol is OC(c1ccc2c(c1)OCCO2)c1cnn2ccncc12.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol?
The InChIKey is CADUHOOMEDTUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c19-15(11-8-17-18-4-3-16-9-12(11)18)10-1-2-13-14(7-10)21-6-5-20-13/h1-4,7-9,15,19H,5-6H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol?
2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol has a molecular weight of 283.29 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanol is sourced from PubChem (CID 103128739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).