20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene

C15H9N5Se — CID 50907804

IUPAC20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene
SMILESCc1c2ccccc2nc2[se]c3c(ncn4ncnc34)c12
InChIInChI=1S/C15H9N5Se/c1-8-9-4-2-3-5-10(9)19-15-11(8)12-13(21-15)14-16-6-18-20(14)7-17-12/h2-7H,1H3
InChIKeyCUJPNCYPRLHERK-UHFFFAOYSA-N
MW338.23 g/mol
LogP2.34
Rot. Bonds

About 20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene

20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene (PubChem CID 50907804) has the molecular formula C15H9N5Se and a molecular weight of 338.23 g/mol. Its IUPAC name is 20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene.

Molecular Properties

Compound Name20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene
PubChem CID50907804
Molecular FormulaC15H9N5Se
Molecular Weight338.23 g/mol
Exact Mass339.00
IUPAC Name20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene
SMILESCc1c2ccccc2nc2[se]c3c(ncn4ncnc34)c12
InChIInChI=1S/C15H9N5Se/c1-8-9-4-2-3-5-10(9)19-15-11(8)12-13(21-15)14-16-6-18-20(14)7-17-12/h2-7H,1H3
InChIKeyCUJPNCYPRLHERK-UHFFFAOYSA-N
XLogP2.34
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene 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 20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene?
The IUPAC name of 20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene (CID 50907804) is 20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene.
What is the SMILES notation for 20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene?
The canonical SMILES for 20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene is Cc1c2ccccc2nc2[se]c3c(ncn4ncnc34)c12.
What is the InChIKey of 20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene?
The InChIKey is CUJPNCYPRLHERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5Se/c1-8-9-4-2-3-5-10(9)19-15-11(8)12-13(21-15)14-16-6-18-20(14)7-17-12/h2-7H,1H3.
What are the key properties of 20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene?
20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene has a molecular weight of 338.23 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 20-methyl-11-selena-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.014,19]icosa-1(20),2(10),3,6,8,12,14,16,18-nonaene is sourced from PubChem (CID 50907804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).