3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene

C13H12N2 — CID 18783557

IUPAC3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene
SMILESc1cc2cc(n1)-c1cc(ccn1)CCC2
InChIInChI=1S/C13H12N2/c1-2-10-4-6-14-12(8-10)13-9-11(3-1)5-7-15-13/h4-9H,1-3H2
InChIKeySYRCZJWWJFKCNV-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.63
Rot. Bonds

About 3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene

3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene (PubChem CID 18783557) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene.

Molecular Properties

Compound Name3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene
PubChem CID18783557
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene
SMILESc1cc2cc(n1)-c1cc(ccn1)CCC2
InChIInChI=1S/C13H12N2/c1-2-10-4-6-14-12(8-10)13-9-11(3-1)5-7-15-13/h4-9H,1-3H2
InChIKeySYRCZJWWJFKCNV-UHFFFAOYSA-N
XLogP2.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene 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 3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene?
The IUPAC name of 3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene (CID 18783557) is 3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene.
What is the SMILES notation for 3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene?
The canonical SMILES for 3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene is c1cc2cc(n1)-c1cc(ccn1)CCC2.
What is the InChIKey of 3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene?
The InChIKey is SYRCZJWWJFKCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-10-4-6-14-12(8-10)13-9-11(3-1)5-7-15-13/h4-9H,1-3H2.
What are the key properties of 3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene?
3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene has a molecular weight of 196.25 g/mol, XLogP of 2.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,13-diazatricyclo[8.3.1.12,6]pentadeca-1(13),2,4,6(15),10(14),11-hexaene is sourced from PubChem (CID 18783557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).