CID 59360305

C5H6N3Y31- — CID 59360305

IUPAC—
SMILESCc1n[c-]nc(C)n1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C5H6N3.31Y/c1-4-6-3-7-5(2)8-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyOQLMPRVYLKWMTI-UHFFFAOYSA-N
MW2864.21 g/mol
LogP0.21
Rot. Bonds

About CID 59360305

CID 59360305 (PubChem CID 59360305) has the molecular formula C5H6N3Y31- and a molecular weight of 2864.21 g/mol.

Molecular Properties

Compound NameCID 59360305
PubChem CID59360305
Molecular FormulaC5H6N3Y31-
Molecular Weight2864.21 g/mol
Exact Mass2864.14
IUPAC Name—
SMILESCc1n[c-]nc(C)n1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C5H6N3.31Y/c1-4-6-3-7-5(2)8-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
InChIKeyOQLMPRVYLKWMTI-UHFFFAOYSA-N
XLogP0.21
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5002864.21
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 59360305?
The IUPAC name of CID 59360305 (CID 59360305) is not available.
What is the SMILES notation for CID 59360305?
The canonical SMILES for CID 59360305 is Cc1n[c-]nc(C)n1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of CID 59360305?
The InChIKey is OQLMPRVYLKWMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N3.31Y/c1-4-6-3-7-5(2)8-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of CID 59360305?
CID 59360305 has a molecular weight of 2864.21 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59360305 is sourced from PubChem (CID 59360305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).