sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate

C7H4N3NaO3 — CID 137161938

IUPACsodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate
SMILESO=c1c(=C([O-])O)cnc2ccnn12.[Na+]
InChIInChI=1S/C7H5N3O3.Na/c11-6-4(7(12)13)3-8-5-1-2-9-10(5)6;/h1-3,12-13H;/q;+1/p-1
InChIKeyVDUQSFZHCCIRRO-UHFFFAOYSA-M
MW201.12 g/mol
LogP-5.20
Rot. Bonds

About sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate

sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate (PubChem CID 137161938) has the molecular formula C7H4N3NaO3 and a molecular weight of 201.12 g/mol. Its IUPAC name is sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate.

Molecular Properties

Compound Namesodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate
PubChem CID137161938
Molecular FormulaC7H4N3NaO3
Molecular Weight201.12 g/mol
Exact Mass201.02
IUPAC Namesodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate
SMILESO=c1c(=C([O-])O)cnc2ccnn12.[Na+]
InChIInChI=1S/C7H5N3O3.Na/c11-6-4(7(12)13)3-8-5-1-2-9-10(5)6;/h1-3,12-13H;/q;+1/p-1
InChIKeyVDUQSFZHCCIRRO-UHFFFAOYSA-M
XLogP-5.20
TPSA90.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.12
LogP ≤ 5-5.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate?
The IUPAC name of sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate (CID 137161938) is sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate.
What is the SMILES notation for sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate?
The canonical SMILES for sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate is O=c1c(=C([O-])O)cnc2ccnn12.[Na+].
What is the InChIKey of sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate?
The InChIKey is VDUQSFZHCCIRRO-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H5N3O3.Na/c11-6-4(7(12)13)3-8-5-1-2-9-10(5)6;/h1-3,12-13H;/q;+1/p-1.
What are the key properties of sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate?
sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate has a molecular weight of 201.12 g/mol, XLogP of -5.20, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium hydroxy-(7-oxopyrazolo[1,5-a]pyrimidin-6-ylidene)methanolate is sourced from PubChem (CID 137161938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).