7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine

C12H11N5 — CID 172543727

IUPAC7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine
SMILESNc1ccc2c(c(N)n1)c(N)nc1cccc12
InChIInChI=1S/C12H11N5/c13-9-5-4-7-6-2-1-3-8(6)16-11(14)10(7)12(15)17-9/h1-5H,(H2,14,16)(H4,13,15,17)
InChIKeyYUADPNCAWURFLB-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.53
Rot. Bonds

About 7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine

7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine (PubChem CID 172543727) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine.

Molecular Properties

Compound Name7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine
PubChem CID172543727
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine
SMILESNc1ccc2c(c(N)n1)c(N)nc1cccc12
InChIInChI=1S/C12H11N5/c13-9-5-4-7-6-2-1-3-8(6)16-11(14)10(7)12(15)17-9/h1-5H,(H2,14,16)(H4,13,15,17)
InChIKeyYUADPNCAWURFLB-UHFFFAOYSA-N
XLogP1.53
TPSA103.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine?
The IUPAC name of 7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine (CID 172543727) is 7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine.
What is the SMILES notation for 7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine?
The canonical SMILES for 7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine is Nc1ccc2c(c(N)n1)c(N)nc1cccc12.
What is the InChIKey of 7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine?
The InChIKey is YUADPNCAWURFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-9-5-4-7-6-2-1-3-8(6)16-11(14)10(7)12(15)17-9/h1-5H,(H2,14,16)(H4,13,15,17).
What are the key properties of 7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine?
7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine has a molecular weight of 225.25 g/mol, XLogP of 1.53, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-diazatricyclo[7.5.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene-8,10,12-triamine is sourced from PubChem (CID 172543727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).