3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine

C13H13N3 — CID 14828218

IUPAC3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine
SMILESNc1ncnc2c1CCCc1ccccc1-2
InChIInChI=1S/C13H13N3/c14-13-11-7-3-5-9-4-1-2-6-10(9)12(11)15-8-16-13/h1-2,4,6,8H,3,5,7H2,(H2,14,15,16)
InChIKeyAEXVRKDHZJXIMW-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.21
Rot. Bonds

About 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine

3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine (PubChem CID 14828218) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine.

Molecular Properties

Compound Name3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine
PubChem CID14828218
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine
SMILESNc1ncnc2c1CCCc1ccccc1-2
InChIInChI=1S/C13H13N3/c14-13-11-7-3-5-9-4-1-2-6-10(9)12(11)15-8-16-13/h1-2,4,6,8H,3,5,7H2,(H2,14,15,16)
InChIKeyAEXVRKDHZJXIMW-UHFFFAOYSA-N
XLogP2.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine?
The IUPAC name of 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine (CID 14828218) is 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine.
What is the SMILES notation for 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine?
The canonical SMILES for 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine is Nc1ncnc2c1CCCc1ccccc1-2.
What is the InChIKey of 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine?
The InChIKey is AEXVRKDHZJXIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c14-13-11-7-3-5-9-4-1-2-6-10(9)12(11)15-8-16-13/h1-2,4,6,8H,3,5,7H2,(H2,14,15,16).
What are the key properties of 3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine?
3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaen-6-amine has a molecular weight of 211.27 g/mol, XLogP of 2.21, 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(15),2(7),3,5,11,13-hexaen-6-amine is sourced from PubChem (CID 14828218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).