CID 137205888

C8H8N4Na2O2S — CID 137205888

IUPAC—
SMILESCSc1nc2[nH]c(=O)c(C)nc2c(=O)[nH]1.[Na].[Na]
InChIInChI=1S/C8H8N4O2S.2Na/c1-3-6(13)10-5-4(9-3)7(14)12-8(11-5)15-2;;/h1-2H3,(H2,10,11,12,13,14);;
InChIKeyVNABYTMMQPUSOC-UHFFFAOYSA-N
MW270.22 g/mol
LogP-0.72
Rot. Bonds1

About CID 137205888

CID 137205888 (PubChem CID 137205888) has the molecular formula C8H8N4Na2O2S and a molecular weight of 270.22 g/mol.

Molecular Properties

Compound NameCID 137205888
PubChem CID137205888
Molecular FormulaC8H8N4Na2O2S
Molecular Weight270.22 g/mol
Exact Mass270.02
IUPAC Name—
SMILESCSc1nc2[nH]c(=O)c(C)nc2c(=O)[nH]1.[Na].[Na]
InChIInChI=1S/C8H8N4O2S.2Na/c1-3-6(13)10-5-4(9-3)7(14)12-8(11-5)15-2;;/h1-2H3,(H2,10,11,12,13,14);;
InChIKeyVNABYTMMQPUSOC-UHFFFAOYSA-N
XLogP-0.72
TPSA91.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 137205888?
The IUPAC name of CID 137205888 (CID 137205888) is not available.
What is the SMILES notation for CID 137205888?
The canonical SMILES for CID 137205888 is CSc1nc2[nH]c(=O)c(C)nc2c(=O)[nH]1.[Na].[Na].
What is the InChIKey of CID 137205888?
The InChIKey is VNABYTMMQPUSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S.2Na/c1-3-6(13)10-5-4(9-3)7(14)12-8(11-5)15-2;;/h1-2H3,(H2,10,11,12,13,14);;.
What are the key properties of CID 137205888?
CID 137205888 has a molecular weight of 270.22 g/mol, XLogP of -0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137205888 is sourced from PubChem (CID 137205888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).