12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene

C11H8N2 — CID 135082435

IUPAC12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene
SMILESC1=CN=c2ccc3cccc(n23)=C1
InChIInChI=1S/C11H8N2/c1-3-9-5-2-8-12-11-7-6-10(4-1)13(9)11/h1-8H
InChIKeyYOQIKKDDPPETDO-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.87
Rot. Bonds

About 12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene

12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene (PubChem CID 135082435) has the molecular formula C11H8N2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene.

Molecular Properties

Compound Name12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene
PubChem CID135082435
Molecular FormulaC11H8N2
Molecular Weight168.20 g/mol
Exact Mass168.07
IUPAC Name12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene
SMILESC1=CN=c2ccc3cccc(n23)=C1
InChIInChI=1S/C11H8N2/c1-3-9-5-2-8-12-11-7-6-10(4-1)13(9)11/h1-8H
InChIKeyYOQIKKDDPPETDO-UHFFFAOYSA-N
XLogP0.87
TPSA16.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,6,13-Triazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 12404659
Pyrido[1,2-a]pyrimidine
CID 20094215
2,13-Diazatricyclo[7.3.1.05,13]trideca-1,3,5,7,9,11-hexaene
CID 135082283
silver 3-methanidylidene-2H-imidazo[1,2-a]pyridine
CID 134859819
4-Ethylimidazo[1,2-a]pyridin-4-ium
CID 18001023
3,4-Diethylimidazo[1,2-a]pyridin-4-ium
CID 22909639
2-methyl-4-methylidene-3H-pyrido[1,2-a]pyrimidin-3-ide;yttrium
CID 58148024
2-Methyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 58148025
2-methylidene-3H-imidazo[1,2-a]pyridine
CID 58182895
3-methyl-2H-imidazo[1,2-a]pyridin-2-ide;yttrium
CID 60004417
3-Methyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 70232596
6-methyl-4H-pyrido[1,2-a]pyrimidine
CID 89183225

Frequently Asked Questions

What is the IUPAC name of 12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene?
The IUPAC name of 12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene (CID 135082435) is 12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene.
What is the SMILES notation for 12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene?
The canonical SMILES for 12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene is C1=CN=c2ccc3cccc(n23)=C1.
What is the InChIKey of 12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene?
The InChIKey is YOQIKKDDPPETDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2/c1-3-9-5-2-8-12-11-7-6-10(4-1)13(9)11/h1-8H.
What are the key properties of 12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene?
12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene has a molecular weight of 168.20 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12,13-diazatricyclo[6.4.1.04,13]trideca-1(12),2,4,6,8,10-hexaene is sourced from PubChem (CID 135082435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).