CID 90373854

C6H6N6NaO6 — CID 90373854

IUPAC—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na]
InChIInChI=1S/2C3H3N3O3.Na/c2*7-1-4-2(8)6-3(9)5-1;/h2*(H3,4,5,6,7,8,9);
InChIKeyIPFASFOGJVPTBE-UHFFFAOYSA-N
MW281.14 g/mol
LogP-4.88
Rot. Bonds

About CID 90373854

CID 90373854 (PubChem CID 90373854) has the molecular formula C6H6N6NaO6 and a molecular weight of 281.14 g/mol.

Molecular Properties

Compound NameCID 90373854
PubChem CID90373854
Molecular FormulaC6H6N6NaO6
Molecular Weight281.14 g/mol
Exact Mass281.02
IUPAC Name—
SMILESO=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na]
InChIInChI=1S/2C3H3N3O3.Na/c2*7-1-4-2(8)6-3(9)5-1;/h2*(H3,4,5,6,7,8,9);
InChIKeyIPFASFOGJVPTBE-UHFFFAOYSA-N
XLogP-4.88
TPSA197.16 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.14
LogP ≤ 5-4.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze CID 90373854 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 90373854?
The IUPAC name of CID 90373854 (CID 90373854) is not available.
What is the SMILES notation for CID 90373854?
The canonical SMILES for CID 90373854 is O=c1[nH]c(=O)[nH]c(=O)[nH]1.O=c1[nH]c(=O)[nH]c(=O)[nH]1.[Na].
What is the InChIKey of CID 90373854?
The InChIKey is IPFASFOGJVPTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3N3O3.Na/c2*7-1-4-2(8)6-3(9)5-1;/h2*(H3,4,5,6,7,8,9);.
What are the key properties of CID 90373854?
CID 90373854 has a molecular weight of 281.14 g/mol, XLogP of -4.88, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90373854 is sourced from PubChem (CID 90373854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).