5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene

C13H14N2 — CID 58034287

IUPAC5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene
SMILESC1=Nc2cc3c(cc2C1)C1CNCC3C1
InChIInChI=1S/C13H14N2/c1-2-15-13-5-12-10-3-9(6-14-7-10)11(12)4-8(1)13/h2,4-5,9-10,14H,1,3,6-7H2
InChIKeyLYXNGKOYBQXUNL-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.12
Rot. Bonds

About 5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene

5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene (PubChem CID 58034287) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene.

Molecular Properties

Compound Name5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene
PubChem CID58034287
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene
SMILESC1=Nc2cc3c(cc2C1)C1CNCC3C1
InChIInChI=1S/C13H14N2/c1-2-15-13-5-12-10-3-9(6-14-7-10)11(12)4-8(1)13/h2,4-5,9-10,14H,1,3,6-7H2
InChIKeyLYXNGKOYBQXUNL-UHFFFAOYSA-N
XLogP2.12
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-(methylideneamino)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-4-yl]methanimine
CID 91604553
(1S,12S)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 11608185
5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene;hydrobromide
CID 75164726
6,7-dimethyl-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 10198642
(1S,12R)-6,7-dideuterio-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 164669962
(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 11232816
oxalic acid;(1S,12S)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 46181479
4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
CID 87994494
5-oxido-8,14-diaza-5-azoniatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 154703516
2,3-dihydroxybutanedioic acid;(1R,12S)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
CID 53486179
5-[2-(4-fluorophenyl)ethyl]-3H-indole
CID 58480633
(1S,5S)-3-azabicyclo[3.1.1]heptan-6-one
CID 98137974

Frequently Asked Questions

What is the IUPAC name of 5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene?
The IUPAC name of 5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene (CID 58034287) is 5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene.
What is the SMILES notation for 5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene?
The canonical SMILES for 5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene is C1=Nc2cc3c(cc2C1)C1CNCC3C1.
What is the InChIKey of 5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene?
The InChIKey is LYXNGKOYBQXUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-15-13-5-12-10-3-9(6-14-7-10)11(12)4-8(1)13/h2,4-5,9-10,14H,1,3,6-7H2.
What are the key properties of 5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene?
5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene has a molecular weight of 198.27 g/mol, XLogP of 2.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,13-diazatetracyclo[9.3.1.02,10.04,8]pentadeca-2(10),3,5,8-tetraene is sourced from PubChem (CID 58034287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).