2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one

C11H7N7O — CID 141313280

IUPAC2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one
SMILESO=c1[nH]c2cnc(-c3cnn4ccncc34)nc2[nH]1
InChIInChI=1S/C11H7N7O/c19-11-15-7-4-13-9(16-10(7)17-11)6-3-14-18-2-1-12-5-8(6)18/h1-5H,(H2,13,15,16,17,19)
InChIKeyRXYMITKBXWBKKJ-UHFFFAOYSA-N
MW253.23 g/mol
LogP0.36
Rot. Bonds1

About 2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one

2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one (PubChem CID 141313280) has the molecular formula C11H7N7O and a molecular weight of 253.23 g/mol. Its IUPAC name is 2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one.

Molecular Properties

Compound Name2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one
PubChem CID141313280
Molecular FormulaC11H7N7O
Molecular Weight253.23 g/mol
Exact Mass253.07
IUPAC Name2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one
SMILESO=c1[nH]c2cnc(-c3cnn4ccncc34)nc2[nH]1
InChIInChI=1S/C11H7N7O/c19-11-15-7-4-13-9(16-10(7)17-11)6-3-14-18-2-1-12-5-8(6)18/h1-5H,(H2,13,15,16,17,19)
InChIKeyRXYMITKBXWBKKJ-UHFFFAOYSA-N
XLogP0.36
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one?
The IUPAC name of 2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one (CID 141313280) is 2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one.
What is the SMILES notation for 2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one?
The canonical SMILES for 2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one is O=c1[nH]c2cnc(-c3cnn4ccncc34)nc2[nH]1.
What is the InChIKey of 2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one?
The InChIKey is RXYMITKBXWBKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N7O/c19-11-15-7-4-13-9(16-10(7)17-11)6-3-14-18-2-1-12-5-8(6)18/h1-5H,(H2,13,15,16,17,19).
What are the key properties of 2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one?
2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one has a molecular weight of 253.23 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[1,5-a]pyrazin-3-yl-7,9-dihydropurin-8-one is sourced from PubChem (CID 141313280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).