1,4,8,11-tetrazacyclotetradeca-8,10-diene

C10H20N4 — CID 90713799

IUPAC1,4,8,11-tetrazacyclotetradeca-8,10-diene
SMILESC1=N\CCCNCCNCCC/N=C/1
InChIInChI=1S/C10H20N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h7,9,12,14H,1-6,8,10H2/b11-7-,13-9+
InChIKeyFGVWPRNPTKHNJN-ZKEZPVCDSA-N
MW196.30 g/mol
LogP0.10
Rot. Bonds

About 1,4,8,11-tetrazacyclotetradeca-8,10-diene

1,4,8,11-tetrazacyclotetradeca-8,10-diene (PubChem CID 90713799) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1,4,8,11-tetrazacyclotetradeca-8,10-diene.

Molecular Properties

Compound Name1,4,8,11-tetrazacyclotetradeca-8,10-diene
PubChem CID90713799
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1,4,8,11-tetrazacyclotetradeca-8,10-diene
SMILESC1=N\CCCNCCNCCC/N=C/1
InChIInChI=1S/C10H20N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h7,9,12,14H,1-6,8,10H2/b11-7-,13-9+
InChIKeyFGVWPRNPTKHNJN-ZKEZPVCDSA-N
XLogP0.10
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,4,8,11-tetrazacyclotetradeca-8,10-diene 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 1,4,8,11-tetrazacyclotetradeca-8,10-diene?
The IUPAC name of 1,4,8,11-tetrazacyclotetradeca-8,10-diene (CID 90713799) is 1,4,8,11-tetrazacyclotetradeca-8,10-diene.
What is the SMILES notation for 1,4,8,11-tetrazacyclotetradeca-8,10-diene?
The canonical SMILES for 1,4,8,11-tetrazacyclotetradeca-8,10-diene is C1=N\CCCNCCNCCC/N=C/1.
What is the InChIKey of 1,4,8,11-tetrazacyclotetradeca-8,10-diene?
The InChIKey is FGVWPRNPTKHNJN-ZKEZPVCDSA-N. The full InChI is InChI=1S/C10H20N4/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1/h7,9,12,14H,1-6,8,10H2/b11-7-,13-9+.
What are the key properties of 1,4,8,11-tetrazacyclotetradeca-8,10-diene?
1,4,8,11-tetrazacyclotetradeca-8,10-diene has a molecular weight of 196.30 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,8,11-tetrazacyclotetradeca-8,10-diene is sourced from PubChem (CID 90713799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).