5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene

C12H14N2 — CID 115404304

IUPAC5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1cccn2c3c(nc12)C(C)CC3
InChIInChI=1S/C12H14N2/c1-8-5-6-10-11(8)13-12-9(2)4-3-7-14(10)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyIFZOSHVTIUWYKF-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.69
Rot. Bonds

About 5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene

5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 115404304) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID115404304
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1cccn2c3c(nc12)C(C)CC3
InChIInChI=1S/C12H14N2/c1-8-5-6-10-11(8)13-12-9(2)4-3-7-14(10)12/h3-4,7-8H,5-6H2,1-2H3
InChIKeyIFZOSHVTIUWYKF-UHFFFAOYSA-N
XLogP2.69
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene with MolForge

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Related Compounds

4-methoxy-6-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115404726
4-methyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115281707
8-methyl-2-(oxan-4-yl)imidazo[1,2-a]pyridin-3-amine
CID 55249748
2-cyclopropyl-8-methylimidazo[1,2-a]pyridine-3-carbaldehyde
CID 115405090
10-methyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 55268542
3,8-dimethyl-2-pyrrolidin-3-ylimidazo[1,2-a]pyridine
CID 115029259
5-methyl-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2(6),7,10-triene
CID 115403241
3,8-dimethyl-2-piperidin-2-ylimidazo[1,2-a]pyridine
CID 115037395
3,8-dimethyl-2-piperidin-3-ylimidazo[1,2-a]pyridine
CID 115037396
4,6,6-trimethyl-8,9-dihydro-7H-pyrido[1,2-a]benzimidazole
CID 115404376
3-bromo-8-methyl-2-(2,2,3,3-tetramethylcyclopropyl)imidazo[1,2-a]pyridine
CID 165499866
14-methyl-5-thia-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
CID 115404323

Frequently Asked Questions

What is the IUPAC name of 5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 115404304) is 5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is Cc1cccn2c3c(nc12)C(C)CC3.
What is the InChIKey of 5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is IFZOSHVTIUWYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-8-5-6-10-11(8)13-12-9(2)4-3-7-14(10)12/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 186.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-dimethyl-1,7-diazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 115404304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).