1,4,7,10,13-pentazacyclopentadeca-9,13-diene

C10H21N5 — CID 57230608

IUPAC1,4,7,10,13-pentazacyclopentadeca-9,13-diene
SMILESC1=N\CC/N=C\CNCCNCCNC/1
InChIInChI=1S/C10H21N5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1,7,12,14-15H,2-6,8-10H2/b11-1-,13-7-
InChIKeyUQRUROSMENHMIZ-JUSGIIQDSA-N
MW211.31 g/mol
LogP-1.09
Rot. Bonds

About 1,4,7,10,13-pentazacyclopentadeca-9,13-diene

1,4,7,10,13-pentazacyclopentadeca-9,13-diene (PubChem CID 57230608) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 1,4,7,10,13-pentazacyclopentadeca-9,13-diene.

Molecular Properties

Compound Name1,4,7,10,13-pentazacyclopentadeca-9,13-diene
PubChem CID57230608
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name1,4,7,10,13-pentazacyclopentadeca-9,13-diene
SMILESC1=N\CC/N=C\CNCCNCCNC/1
InChIInChI=1S/C10H21N5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1,7,12,14-15H,2-6,8-10H2/b11-1-,13-7-
InChIKeyUQRUROSMENHMIZ-JUSGIIQDSA-N
XLogP-1.09
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,13-pentazacyclopentadeca-9,13-diene?
The IUPAC name of 1,4,7,10,13-pentazacyclopentadeca-9,13-diene (CID 57230608) is 1,4,7,10,13-pentazacyclopentadeca-9,13-diene.
What is the SMILES notation for 1,4,7,10,13-pentazacyclopentadeca-9,13-diene?
The canonical SMILES for 1,4,7,10,13-pentazacyclopentadeca-9,13-diene is C1=N\CC/N=C\CNCCNCCNC/1.
What is the InChIKey of 1,4,7,10,13-pentazacyclopentadeca-9,13-diene?
The InChIKey is UQRUROSMENHMIZ-JUSGIIQDSA-N. The full InChI is InChI=1S/C10H21N5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1,7,12,14-15H,2-6,8-10H2/b11-1-,13-7-.
What are the key properties of 1,4,7,10,13-pentazacyclopentadeca-9,13-diene?
1,4,7,10,13-pentazacyclopentadeca-9,13-diene has a molecular weight of 211.31 g/mol, XLogP of -1.09, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,13-pentazacyclopentadeca-9,13-diene is sourced from PubChem (CID 57230608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).