sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one

C5H4N4NaO+ — CID 54610770

IUPACsodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one
SMILESO=c1[nH][nH]c2nccnc12.[Na+]
InChIInChI=1S/C5H4N4O.Na/c10-5-3-4(8-9-5)7-2-1-6-3;/h1-2H,(H2,7,8,9,10);/q;+1
InChIKeyWSCCAIFULXMQOC-UHFFFAOYSA-N
MW159.10 g/mol
LogP-3.35
Rot. Bonds

About sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one

sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one (PubChem CID 54610770) has the molecular formula C5H4N4NaO+ and a molecular weight of 159.10 g/mol. Its IUPAC name is sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one.

Molecular Properties

Compound Namesodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one
PubChem CID54610770
Molecular FormulaC5H4N4NaO+
Molecular Weight159.10 g/mol
Exact Mass159.03
IUPAC Namesodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one
SMILESO=c1[nH][nH]c2nccnc12.[Na+]
InChIInChI=1S/C5H4N4O.Na/c10-5-3-4(8-9-5)7-2-1-6-3;/h1-2H,(H2,7,8,9,10);/q;+1
InChIKeyWSCCAIFULXMQOC-UHFFFAOYSA-N
XLogP-3.35
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.10
LogP ≤ 5-3.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one?
The IUPAC name of sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one (CID 54610770) is sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one.
What is the SMILES notation for sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one?
The canonical SMILES for sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one is O=c1[nH][nH]c2nccnc12.[Na+].
What is the InChIKey of sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one?
The InChIKey is WSCCAIFULXMQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O.Na/c10-5-3-4(8-9-5)7-2-1-6-3;/h1-2H,(H2,7,8,9,10);/q;+1.
What are the key properties of sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one?
sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one has a molecular weight of 159.10 g/mol, XLogP of -3.35, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,2-dihydropyrazolo[3,4-b]pyrazin-3-one is sourced from PubChem (CID 54610770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).