CID 158025510

C6H9N4Y- — CID 158025510

IUPAC—
SMILESCc1n[c-]nc(CCN)n1.[Y]
InChIInChI=1S/C6H9N4.Y/c1-5-8-4-9-6(10-5)2-3-7;/h2-3,7H2,1H3;/q-1;
InChIKeyOZTALRYTAOGTOA-UHFFFAOYSA-N
MW226.07 g/mol
LogP-0.52
Rot. Bonds2

About CID 158025510

CID 158025510 (PubChem CID 158025510) has the molecular formula C6H9N4Y- and a molecular weight of 226.07 g/mol.

Molecular Properties

Compound NameCID 158025510
PubChem CID158025510
Molecular FormulaC6H9N4Y-
Molecular Weight226.07 g/mol
Exact Mass225.99
IUPAC Name—
SMILESCc1n[c-]nc(CCN)n1.[Y]
InChIInChI=1S/C6H9N4.Y/c1-5-8-4-9-6(10-5)2-3-7;/h2-3,7H2,1H3;/q-1;
InChIKeyOZTALRYTAOGTOA-UHFFFAOYSA-N
XLogP-0.52
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 158025510?
The IUPAC name of CID 158025510 (CID 158025510) is not available.
What is the SMILES notation for CID 158025510?
The canonical SMILES for CID 158025510 is Cc1n[c-]nc(CCN)n1.[Y].
What is the InChIKey of CID 158025510?
The InChIKey is OZTALRYTAOGTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N4.Y/c1-5-8-4-9-6(10-5)2-3-7;/h2-3,7H2,1H3;/q-1;.
What are the key properties of CID 158025510?
CID 158025510 has a molecular weight of 226.07 g/mol, XLogP of -0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158025510 is sourced from PubChem (CID 158025510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).