3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine

C13H11N3 — CID 91299821

IUPAC3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine
SMILESNC1=NC2=c3ccccc3=CC=CC2C=N1
InChIInChI=1S/C13H11N3/c14-13-15-8-10-6-3-5-9-4-1-2-7-11(9)12(10)16-13/h1-8,10H,(H2,14,16)
InChIKeyOLSVIGDHKNGZCS-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.16
Rot. Bonds

About 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine

3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine (PubChem CID 91299821) has the molecular formula C13H11N3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine.

Molecular Properties

Compound Name3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine
PubChem CID91299821
Molecular FormulaC13H11N3
Molecular Weight209.25 g/mol
Exact Mass209.10
IUPAC Name3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine
SMILESNC1=NC2=c3ccccc3=CC=CC2C=N1
InChIInChI=1S/C13H11N3/c14-13-15-8-10-6-3-5-9-4-1-2-7-11(9)12(10)16-13/h1-8,10H,(H2,14,16)
InChIKeyOLSVIGDHKNGZCS-UHFFFAOYSA-N
XLogP0.16
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine?
The IUPAC name of 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine (CID 91299821) is 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine.
What is the SMILES notation for 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine?
The canonical SMILES for 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine is NC1=NC2=c3ccccc3=CC=CC2C=N1.
What is the InChIKey of 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine?
The InChIKey is OLSVIGDHKNGZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3/c14-13-15-8-10-6-3-5-9-4-1-2-7-11(9)12(10)16-13/h1-8,10H,(H2,14,16).
What are the key properties of 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine?
3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine has a molecular weight of 209.25 g/mol, XLogP of 0.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1,3,5,8,10,12,14-heptaen-4-amine is sourced from PubChem (CID 91299821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).