sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione

C5H4N4NaO2+ — CID 135710747

IUPACsodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESO=c1[nH]c(=O)c2cn[nH]c2[nH]1.[Na+]
InChIInChI=1S/C5H4N4O2.Na/c10-4-2-1-6-9-3(2)7-5(11)8-4;/h1H,(H3,6,7,8,9,10,11);/q;+1
InChIKeyVWYMQBCHDQJNII-UHFFFAOYSA-N
MW175.10 g/mol
LogP-4.06
Rot. Bonds

About sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione

sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione (PubChem CID 135710747) has the molecular formula C5H4N4NaO2+ and a molecular weight of 175.10 g/mol. Its IUPAC name is sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione.

Molecular Properties

Compound Namesodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
PubChem CID135710747
Molecular FormulaC5H4N4NaO2+
Molecular Weight175.10 g/mol
Exact Mass175.02
IUPAC Namesodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione
SMILESO=c1[nH]c(=O)c2cn[nH]c2[nH]1.[Na+]
InChIInChI=1S/C5H4N4O2.Na/c10-4-2-1-6-9-3(2)7-5(11)8-4;/h1H,(H3,6,7,8,9,10,11);/q;+1
InChIKeyVWYMQBCHDQJNII-UHFFFAOYSA-N
XLogP-4.06
TPSA94.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.10
LogP ≤ 5-4.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione?
The IUPAC name of sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione (CID 135710747) is sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione.
What is the SMILES notation for sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione?
The canonical SMILES for sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione is O=c1[nH]c(=O)c2cn[nH]c2[nH]1.[Na+].
What is the InChIKey of sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione?
The InChIKey is VWYMQBCHDQJNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O2.Na/c10-4-2-1-6-9-3(2)7-5(11)8-4;/h1H,(H3,6,7,8,9,10,11);/q;+1.
What are the key properties of sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione?
sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione has a molecular weight of 175.10 g/mol, XLogP of -4.06, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,7-dihydropyrazolo[5,4-d]pyrimidine-4,6-dione is sourced from PubChem (CID 135710747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).