CID 6330289

C7H7N4Se — CID 6330289

IUPAC—
SMILESNC([Se])=NN=Cc1ccncc1
InChIInChI=1S/C7H7N4Se/c8-7(12)11-10-5-6-1-3-9-4-2-6/h1-5H,(H2,8,11)
InChIKeyYXZUGKNIQCWLKQ-UHFFFAOYSA-N
MW226.12 g/mol
LogP-0.10
Rot. Bonds2

About CID 6330289

CID 6330289 (PubChem CID 6330289) has the molecular formula C7H7N4Se and a molecular weight of 226.12 g/mol.

Molecular Properties

Compound NameCID 6330289
PubChem CID6330289
Molecular FormulaC7H7N4Se
Molecular Weight226.12 g/mol
Exact Mass226.98
IUPAC Name—
SMILESNC([Se])=NN=Cc1ccncc1
InChIInChI=1S/C7H7N4Se/c8-7(12)11-10-5-6-1-3-9-4-2-6/h1-5H,(H2,8,11)
InChIKeyYXZUGKNIQCWLKQ-UHFFFAOYSA-N
XLogP-0.10
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 6330289?
The IUPAC name of CID 6330289 (CID 6330289) is not available.
What is the SMILES notation for CID 6330289?
The canonical SMILES for CID 6330289 is NC([Se])=NN=Cc1ccncc1.
What is the InChIKey of CID 6330289?
The InChIKey is YXZUGKNIQCWLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N4Se/c8-7(12)11-10-5-6-1-3-9-4-2-6/h1-5H,(H2,8,11).
What are the key properties of CID 6330289?
CID 6330289 has a molecular weight of 226.12 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6330289 is sourced from PubChem (CID 6330289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).