CID 169244202

C7H4N5ORb — CID 169244202

IUPAC—
SMILESOc1cccnc1-c1nn[c-]nn1.[Rb+]
InChIInChI=1S/C7H4N5O.Rb/c13-5-2-1-3-8-6(5)7-11-9-4-10-12-7;/h1-3,13H;/q-1;+1
InChIKeyHWEIZVFJGGZCMP-UHFFFAOYSA-N
MW259.61 g/mol
LogP-3.16
Rot. Bonds1

About CID 169244202

CID 169244202 (PubChem CID 169244202) has the molecular formula C7H4N5ORb and a molecular weight of 259.61 g/mol.

Molecular Properties

Compound NameCID 169244202
PubChem CID169244202
Molecular FormulaC7H4N5ORb
Molecular Weight259.61 g/mol
Exact Mass258.95
IUPAC Name—
SMILESOc1cccnc1-c1nn[c-]nn1.[Rb+]
InChIInChI=1S/C7H4N5O.Rb/c13-5-2-1-3-8-6(5)7-11-9-4-10-12-7;/h1-3,13H;/q-1;+1
InChIKeyHWEIZVFJGGZCMP-UHFFFAOYSA-N
XLogP-3.16
TPSA84.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.61
LogP ≤ 5-3.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 169244202?
The IUPAC name of CID 169244202 (CID 169244202) is not available.
What is the SMILES notation for CID 169244202?
The canonical SMILES for CID 169244202 is Oc1cccnc1-c1nn[c-]nn1.[Rb+].
What is the InChIKey of CID 169244202?
The InChIKey is HWEIZVFJGGZCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N5O.Rb/c13-5-2-1-3-8-6(5)7-11-9-4-10-12-7;/h1-3,13H;/q-1;+1.
What are the key properties of CID 169244202?
CID 169244202 has a molecular weight of 259.61 g/mol, XLogP of -3.16, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169244202 is sourced from PubChem (CID 169244202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).