4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

C13H12N2 — CID 12733822

IUPAC4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESc1ccc2c(c1)CCc1nccnc1C2
InChIInChI=1S/C13H12N2/c1-2-4-11-9-13-12(14-7-8-15-13)6-5-10(11)3-1/h1-4,7-8H,5-6,9H2
InChIKeyQQJYDMIGBLZLCD-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.17
Rot. Bonds

About 4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene

4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (PubChem CID 12733822) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.

Molecular Properties

Compound Name4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
PubChem CID12733822
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
SMILESc1ccc2c(c1)CCc1nccnc1C2
InChIInChI=1S/C13H12N2/c1-2-4-11-9-13-12(14-7-8-15-13)6-5-10(11)3-1/h1-4,7-8H,5-6,9H2
InChIKeyQQJYDMIGBLZLCD-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene with MolForge

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Related Compounds

6-thia-4-azatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene
CID 154304155
10H-chromeno[2,3-b]pyrazine
CID 140937622
quinoxaline;5,6,7,8-tetrahydroquinoxaline
CID 158834092
7,8-dihydro-5H-quinolin-6-imine
CID 123589066
5,6-dihydro-1,7-phenanthroline
CID 69016308
12-azabicyclo[9.4.0]pentadeca-1(11),12,14-triene
CID 175984451
ethane;bis(1,2,3,4-tetrahydronaphthalene);tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene
CID 161259233
2,19-diazatetracyclo[10.10.0.03,10.015,20]docosa-1(12),2,10,15(20),16,18-hexaene
CID 118642189
4-azatricyclo[5.4.0.03,8]undeca-1(7),3,5,8,10-pentaene
CID 45079891
bicyclo[4.2.0]octa-1,3,5-triene;9H-fluorene
CID 161235205
5-methyl-10H-pyrazino[2,3-b][1,8]naphthyridine
CID 162174860
bicyclo[4.1.0]hepta-1,3,5-triene;methane
CID 157397080

Frequently Asked Questions

What is the IUPAC name of 4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The IUPAC name of 4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene (CID 12733822) is 4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene.
What is the SMILES notation for 4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The canonical SMILES for 4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is c1ccc2c(c1)CCc1nccnc1C2.
What is the InChIKey of 4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
The InChIKey is QQJYDMIGBLZLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-4-11-9-13-12(14-7-8-15-13)6-5-10(11)3-1/h1-4,7-8H,5-6,9H2.
What are the key properties of 4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene?
4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene has a molecular weight of 196.25 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diazatricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene is sourced from PubChem (CID 12733822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).