sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate

C5H3N4NaO — CID 24892858

IUPACsodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate
SMILES[Na+].[O-]c1ncnc2cn[nH]c12
InChIInChI=1S/C5H4N4O.Na/c10-5-4-3(1-8-9-4)6-2-7-5;/h1-2H,(H,8,9)(H,6,7,10);/q;+1/p-1
InChIKeyJWVZGWNPZRCKMS-UHFFFAOYSA-M
MW158.10 g/mol
LogP-3.57
Rot. Bonds

About sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate

sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate (PubChem CID 24892858) has the molecular formula C5H3N4NaO and a molecular weight of 158.10 g/mol. Its IUPAC name is sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate.

Molecular Properties

Compound Namesodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate
PubChem CID24892858
Molecular FormulaC5H3N4NaO
Molecular Weight158.10 g/mol
Exact Mass158.02
IUPAC Namesodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate
SMILES[Na+].[O-]c1ncnc2cn[nH]c12
InChIInChI=1S/C5H4N4O.Na/c10-5-4-3(1-8-9-4)6-2-7-5;/h1-2H,(H,8,9)(H,6,7,10);/q;+1/p-1
InChIKeyJWVZGWNPZRCKMS-UHFFFAOYSA-M
XLogP-3.57
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.10
LogP ≤ 5-3.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate?
The IUPAC name of sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate (CID 24892858) is sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate.
What is the SMILES notation for sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate?
The canonical SMILES for sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate is [Na+].[O-]c1ncnc2cn[nH]c12.
What is the InChIKey of sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate?
The InChIKey is JWVZGWNPZRCKMS-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N4O.Na/c10-5-4-3(1-8-9-4)6-2-7-5;/h1-2H,(H,8,9)(H,6,7,10);/q;+1/p-1.
What are the key properties of sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate?
sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate has a molecular weight of 158.10 g/mol, XLogP of -3.57, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1H-pyrazolo[4,5-d]pyrimidin-7-olate is sourced from PubChem (CID 24892858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).