4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine

C12H11N5 — CID 172544238

IUPAC4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine
SMILESNc1nc(N)c2c3cccccc-3c-2c(N)n1
InChIInChI=1S/C12H11N5/c13-10-8-6-4-2-1-3-5-7(6)9(8)11(14)17-12(15)16-10/h1-5H,(H6,13,14,15,16,17)
InChIKeyWTGUYRUGOVWXDU-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.43
Rot. Bonds

About 4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine

4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine (PubChem CID 172544238) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is 4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine.

Molecular Properties

Compound Name4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine
PubChem CID172544238
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Name4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine
SMILESNc1nc(N)c2c3cccccc-3c-2c(N)n1
InChIInChI=1S/C12H11N5/c13-10-8-6-4-2-1-3-5-7(6)9(8)11(14)17-12(15)16-10/h1-5H,(H6,13,14,15,16,17)
InChIKeyWTGUYRUGOVWXDU-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-Diamino-4-azatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-6,10-dicarbonitrile
CID 172543754
4-Azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,5-diamine
CID 172543782
4-Azatricyclo[7.5.0.02,8]tetradeca-1,3,5,7,9,11,13-heptaene-3,7-diamine
CID 172544215

Frequently Asked Questions

What is the IUPAC name of 4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine?
The IUPAC name of 4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine (CID 172544238) is 4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine.
What is the SMILES notation for 4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine?
The canonical SMILES for 4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine is Nc1nc(N)c2c3cccccc-3c-2c(N)n1.
What is the InChIKey of 4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine?
The InChIKey is WTGUYRUGOVWXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c13-10-8-6-4-2-1-3-5-7(6)9(8)11(14)17-12(15)16-10/h1-5H,(H6,13,14,15,16,17).
What are the key properties of 4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine?
4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine has a molecular weight of 225.25 g/mol, XLogP of 1.43, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diazatricyclo[7.5.0.02,8]tetradeca-1(14),2,4,6,8,10,12-heptaene-3,5,7-triamine is sourced from PubChem (CID 172544238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).