3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

C13H12N2 — CID 159070355

IUPAC3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCc1cnc2c(c1C)-c1cccnc1C2
InChIInChI=1S/C13H12N2/c1-8-7-15-12-6-11-10(4-3-5-14-11)13(12)9(8)2/h3-5,7H,6H2,1-2H3
InChIKeyMLOLJELNCDVRAT-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.66
Rot. Bonds

About 3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene

3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (PubChem CID 159070355) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.

Molecular Properties

Compound Name3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
PubChem CID159070355
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
SMILESCc1cnc2c(c1C)-c1cccnc1C2
InChIInChI=1S/C13H12N2/c1-8-7-15-12-6-11-10(4-3-5-14-11)13(12)9(8)2/h3-5,7H,6H2,1-2H3
InChIKeyMLOLJELNCDVRAT-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene with MolForge

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Related Compounds

5,6,7,8-tetramethyl-9H-indeno[2,1-b]pyridine
CID 157054008
3,4,6,7-tetramethyl-9H-indeno[2,1-b]pyridine
CID 157207136
2-(6-methyl-7H-cyclopenta[b]pyridin-5-yl)acetic acid
CID 162462180
6-methyl-5-(2-methylphenyl)-10-aza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 159164422
5-methyl-5,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene
CID 58931549
5-(2,5-dimethylphenyl)-6-methyl-3,10-diaza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 158322913
5,6-bis(ethenyl)-7H-cyclopenta[b]pyridine;ethane
CID 145072090
3-methyl-4H-thiopyrano[3,2-b]pyridine
CID 143590965
6-[3-methyl-2-(1-methylpyridin-1-ium-2-yl)phenyl]-9H-indeno[2,1-b]pyridine
CID 160701759
5-ethylidene-7,8-dihydro-6H-quinoline
CID 164582583
tert-butyl 6-methyl-7H-cyclopenta[b]pyridine-5-carboxylate
CID 157261675
3,4,9-trimethyl-5H-indeno[1,2-b]pyridine
CID 157341185

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The IUPAC name of 3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene (CID 159070355) is 3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene.
What is the SMILES notation for 3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The canonical SMILES for 3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is Cc1cnc2c(c1C)-c1cccnc1C2.
What is the InChIKey of 3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
The InChIKey is MLOLJELNCDVRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-8-7-15-12-6-11-10(4-3-5-14-11)13(12)9(8)2/h3-5,7H,6H2,1-2H3.
What are the key properties of 3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene?
3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene has a molecular weight of 196.25 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene is sourced from PubChem (CID 159070355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).