CID 6379276

C20H15N4Se — CID 6379276

IUPAC—
SMILESCc1nn(-c2ccccc2)c([Se])c1/C=N/c1cccc2cccnc12
InChIInChI=1S/C20H15N4Se/c1-14-17(20(25)24(23-14)16-9-3-2-4-10-16)13-22-18-11-5-7-15-8-6-12-21-19(15)18/h2-13H,1H3/b22-13+
InChIKeyVNKYCMGELWSEGS-LPYMAVHISA-N
MW390.33 g/mol
LogP3.27
Rot. Bonds3

About CID 6379276

CID 6379276 (PubChem CID 6379276) has the molecular formula C20H15N4Se and a molecular weight of 390.33 g/mol.

Molecular Properties

Compound NameCID 6379276
PubChem CID6379276
Molecular FormulaC20H15N4Se
Molecular Weight390.33 g/mol
Exact Mass391.05
IUPAC Name—
SMILESCc1nn(-c2ccccc2)c([Se])c1/C=N/c1cccc2cccnc12
InChIInChI=1S/C20H15N4Se/c1-14-17(20(25)24(23-14)16-9-3-2-4-10-16)13-22-18-11-5-7-15-8-6-12-21-19(15)18/h2-13H,1H3/b22-13+
InChIKeyVNKYCMGELWSEGS-LPYMAVHISA-N
XLogP3.27
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze CID 6379276 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 6379276?
The IUPAC name of CID 6379276 (CID 6379276) is not available.
What is the SMILES notation for CID 6379276?
The canonical SMILES for CID 6379276 is Cc1nn(-c2ccccc2)c([Se])c1/C=N/c1cccc2cccnc12.
What is the InChIKey of CID 6379276?
The InChIKey is VNKYCMGELWSEGS-LPYMAVHISA-N. The full InChI is InChI=1S/C20H15N4Se/c1-14-17(20(25)24(23-14)16-9-3-2-4-10-16)13-22-18-11-5-7-15-8-6-12-21-19(15)18/h2-13H,1H3/b22-13+.
What are the key properties of CID 6379276?
CID 6379276 has a molecular weight of 390.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6379276 is sourced from PubChem (CID 6379276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).