CID 73265299

C9H6N5O3 — CID 73265299

IUPAC—
SMILESO=C(O)C(=O)Nc1cccc(C2=NN=N[N]2)c1
InChIInChI=1S/C9H6N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)
InChIKeyGFHXLZHAIXDUBH-UHFFFAOYSA-N
MW232.18 g/mol
LogP0.36
Rot. Bonds2

About CID 73265299

CID 73265299 (PubChem CID 73265299) has the molecular formula C9H6N5O3 and a molecular weight of 232.18 g/mol.

Molecular Properties

Compound NameCID 73265299
PubChem CID73265299
Molecular FormulaC9H6N5O3
Molecular Weight232.18 g/mol
Exact Mass232.05
IUPAC Name—
SMILESO=C(O)C(=O)Nc1cccc(C2=NN=N[N]2)c1
InChIInChI=1S/C9H6N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17)
InChIKeyGFHXLZHAIXDUBH-UHFFFAOYSA-N
XLogP0.36
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 73265299?
The IUPAC name of CID 73265299 (CID 73265299) is not available.
What is the SMILES notation for CID 73265299?
The canonical SMILES for CID 73265299 is O=C(O)C(=O)Nc1cccc(C2=NN=N[N]2)c1.
What is the InChIKey of CID 73265299?
The InChIKey is GFHXLZHAIXDUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N5O3/c15-8(9(16)17)10-6-3-1-2-5(4-6)7-11-13-14-12-7/h1-4H,(H,10,15)(H,16,17).
What are the key properties of CID 73265299?
CID 73265299 has a molecular weight of 232.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 73265299 is sourced from PubChem (CID 73265299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).