CID 135997841

C5H3AuN4OSe — CID 135997841

IUPAC—
SMILESO=c1[nH]c([Se])nc2nc[nH]c12.[Au]
InChIInChI=1S/C5H3N4OSe.Au/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H2,6,7,8,9,10);
InChIKeyZFXDQDHDDBCAFN-UHFFFAOYSA-N
MW411.03 g/mol
LogP-1.56
Rot. Bonds

About CID 135997841

CID 135997841 (PubChem CID 135997841) has the molecular formula C5H3AuN4OSe and a molecular weight of 411.03 g/mol.

Molecular Properties

Compound NameCID 135997841
PubChem CID135997841
Molecular FormulaC5H3AuN4OSe
Molecular Weight411.03 g/mol
Exact Mass411.91
IUPAC Name—
SMILESO=c1[nH]c([Se])nc2nc[nH]c12.[Au]
InChIInChI=1S/C5H3N4OSe.Au/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H2,6,7,8,9,10);
InChIKeyZFXDQDHDDBCAFN-UHFFFAOYSA-N
XLogP-1.56
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.03
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1,7-dihydropurin-6-one
CID 135421792
2-chloro-1,7-dihydropurin-6-one
CID 160598455
2-methyl-1,7-dihydropurin-6-one
CID 135449674
2-amino-1,7-dihydropurin-6-one;dihydrochloride
CID 140978979
sodium 6-oxo-1,7-dihydropurine-2-thiolate
CID 135547004
magnesium;2-amino-1,7-dihydropurin-6-one;dichloride
CID 174866452
bis(2-amino-1,7-dihydropurin-6-one);trihydrate;dihydroiodide
CID 135724792
2-amino-1,7-dihydropurin-6-one;copper;dihydrate
CID 139263394
1,7-dihydropurin-6-one
CID 135546991
2-[4-(6-oxo-1,7-dihydropurin-2-yl)butyl]-1,7-dihydropurin-6-one
CID 137190272
azane;1,7-dihydropurin-6-one
CID 158320966
2-(methylamino)-1,7-dihydropurin-6-one;dihydrochloride
CID 174295728

Frequently Asked Questions

What is the IUPAC name of CID 135997841?
The IUPAC name of CID 135997841 (CID 135997841) is not available.
What is the SMILES notation for CID 135997841?
The canonical SMILES for CID 135997841 is O=c1[nH]c([Se])nc2nc[nH]c12.[Au].
What is the InChIKey of CID 135997841?
The InChIKey is ZFXDQDHDDBCAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N4OSe.Au/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H2,6,7,8,9,10);.
What are the key properties of CID 135997841?
CID 135997841 has a molecular weight of 411.03 g/mol, XLogP of -1.56, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135997841 is sourced from PubChem (CID 135997841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).