1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene

C10H19N5 — CID 68500347

IUPAC1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene
SMILESC1=NN=N/N=N\CCCCCCCCC1
InChIInChI=1S/C10H19N5/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h9H,1-8,10H2/b11-9?,14-12-,15-13?
InChIKeyZTJOLCXSDNXNJI-XWQHUDRDSA-N
MW209.30 g/mol
LogP3.93
Rot. Bonds

About 1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene

1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene (PubChem CID 68500347) has the molecular formula C10H19N5 and a molecular weight of 209.30 g/mol. Its IUPAC name is 1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene.

Molecular Properties

Compound Name1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene
PubChem CID68500347
Molecular FormulaC10H19N5
Molecular Weight209.30 g/mol
Exact Mass209.16
IUPAC Name1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene
SMILESC1=NN=N/N=N\CCCCCCCCC1
InChIInChI=1S/C10H19N5/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h9H,1-8,10H2/b11-9?,14-12-,15-13?
InChIKeyZTJOLCXSDNXNJI-XWQHUDRDSA-N
XLogP3.93
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene?
The IUPAC name of 1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene (CID 68500347) is 1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene.
What is the SMILES notation for 1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene?
The canonical SMILES for 1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene is C1=NN=N/N=N\CCCCCCCCC1.
What is the InChIKey of 1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene?
The InChIKey is ZTJOLCXSDNXNJI-XWQHUDRDSA-N. The full InChI is InChI=1S/C10H19N5/c1-2-4-6-8-10-12-14-15-13-11-9-7-5-3-1/h9H,1-8,10H2/b11-9?,14-12-,15-13?.
What are the key properties of 1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene?
1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene has a molecular weight of 209.30 g/mol, XLogP of 3.93, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentazacyclopentadeca-2,4,15-triene is sourced from PubChem (CID 68500347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).