5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene

C12H15N3 — CID 115404390

IUPAC5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1cc(C)n2c3c(nc2n1)C(C)CC3
InChIInChI=1S/C12H15N3/c1-7-4-5-10-11(7)14-12-13-8(2)6-9(3)15(10)12/h6-7H,4-5H2,1-3H3
InChIKeyHIHFRHIMBYDZMK-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.40
Rot. Bonds

About 5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene

5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 115404390) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID115404390
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1cc(C)n2c3c(nc2n1)C(C)CC3
InChIInChI=1S/C12H15N3/c1-7-4-5-10-11(7)14-12-13-8(2)6-9(3)15(10)12/h6-7H,4-5H2,1-3H3
InChIKeyHIHFRHIMBYDZMK-UHFFFAOYSA-N
XLogP2.40
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,7-trimethyl-2-(oxolan-3-yl)imidazo[1,2-a]pyrimidine
CID 114266902
2-cyclopropyl-N-(4-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidin-3-amine
CID 53301186
3-bromo-5,7-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 4590184
N-[2-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)ethyl]cyclopropanamine
CID 54924590
5,7-dimethyl-3-(2-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 106743129
3-bromo-2-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 7042307
N-cyclohexyl-5,7-dimethyl-2-propylimidazo[1,2-a]pyrimidin-3-amine
CID 809421
3,5,7-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 115281773
cyclohexyl-(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methanamine
CID 54901588
7-ethyl-1,3-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 114933811
3-(methoxymethyl)-2,5,7-trimethylimidazo[1,2-a]pyrimidine
CID 115404406
4-chloro-2,8-dimethyl-5,6,7,8-tetrahydroquinoline
CID 12798309

Frequently Asked Questions

What is the IUPAC name of 5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 115404390) is 5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is Cc1cc(C)n2c3c(nc2n1)C(C)CC3.
What is the InChIKey of 5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is HIHFRHIMBYDZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-7-4-5-10-11(7)14-12-13-8(2)6-9(3)15(10)12/h6-7H,4-5H2,1-3H3.
What are the key properties of 5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 201.27 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,12-trimethyl-1,7,9-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 115404390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).