1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene

C11H13N5 — CID 12693765

IUPAC1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
SMILESC1=CC2N(C=C1)C1=NCCN1C1=NCCN12
InChIInChI=1S/C11H13N5/c1-2-6-14-9(3-1)15-7-4-12-11(15)16-8-5-13-10(14)16/h1-3,6,9H,4-5,7-8H2
InChIKeyHAIQSHYVAVGTEW-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.05
Rot. Bonds

About 1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene

1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene (PubChem CID 12693765) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene.

Molecular Properties

Compound Name1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
PubChem CID12693765
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
SMILESC1=CC2N(C=C1)C1=NCCN1C1=NCCN12
InChIInChI=1S/C11H13N5/c1-2-6-14-9(3-1)15-7-4-12-11(15)16-8-5-13-10(14)16/h1-3,6,9H,4-5,7-8H2
InChIKeyHAIQSHYVAVGTEW-UHFFFAOYSA-N
XLogP0.05
TPSA34.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene with MolForge

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Related Compounds

8-Methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
CID 2825693
5-Methyl-3,6,7,8a-tetrahydro-2H-diimidazo[1,2-c:1',2'-e]pyrido[1,2-a][1,3,5]triazin-5-ium iodide
CID 139079019
8,15-Dimethyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
CID 434678
8-Methyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene iodide
CID 2825692
(12S)-8-methyl-1,3,6,8-tetraza-11-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7(11),13,15-tetraene
CID 28958570
(12S)-8,15-dimethyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
CID 92858986
(12R)-8,15-dimethyl-1,3,6,11-tetraza-8-azoniatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene
CID 92858987

Frequently Asked Questions

What is the IUPAC name of 1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene?
The IUPAC name of 1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene (CID 12693765) is 1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene.
What is the SMILES notation for 1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene?
The canonical SMILES for 1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene is C1=CC2N(C=C1)C1=NCCN1C1=NCCN12.
What is the InChIKey of 1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene?
The InChIKey is HAIQSHYVAVGTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-2-6-14-9(3-1)15-7-4-12-11(15)16-8-5-13-10(14)16/h1-3,6,9H,4-5,7-8H2.
What are the key properties of 1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene?
1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene has a molecular weight of 215.26 g/mol, XLogP of 0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6,8,11-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-2,7,13,15-tetraene is sourced from PubChem (CID 12693765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).