CID 70187164

C6H8N2NaO3 — CID 70187164

IUPAC—
SMILESCCOc1nc(O)cc(=O)[nH]1.[Na]
InChIInChI=1S/C6H8N2O3.Na/c1-2-11-6-7-4(9)3-5(10)8-6;/h3H,2H2,1H3,(H2,7,8,9,10);
InChIKeyJWQANGBCBHAOEW-UHFFFAOYSA-N
MW179.13 g/mol
LogP-0.51
Rot. Bonds2

About CID 70187164

CID 70187164 (PubChem CID 70187164) has the molecular formula C6H8N2NaO3 and a molecular weight of 179.13 g/mol.

Molecular Properties

Compound NameCID 70187164
PubChem CID70187164
Molecular FormulaC6H8N2NaO3
Molecular Weight179.13 g/mol
Exact Mass179.04
IUPAC Name—
SMILESCCOc1nc(O)cc(=O)[nH]1.[Na]
InChIInChI=1S/C6H8N2O3.Na/c1-2-11-6-7-4(9)3-5(10)8-6;/h3H,2H2,1H3,(H2,7,8,9,10);
InChIKeyJWQANGBCBHAOEW-UHFFFAOYSA-N
XLogP-0.51
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 70187164?
The IUPAC name of CID 70187164 (CID 70187164) is not available.
What is the SMILES notation for CID 70187164?
The canonical SMILES for CID 70187164 is CCOc1nc(O)cc(=O)[nH]1.[Na].
What is the InChIKey of CID 70187164?
The InChIKey is JWQANGBCBHAOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3.Na/c1-2-11-6-7-4(9)3-5(10)8-6;/h3H,2H2,1H3,(H2,7,8,9,10);.
What are the key properties of CID 70187164?
CID 70187164 has a molecular weight of 179.13 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 70187164 is sourced from PubChem (CID 70187164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).