10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

C11H12BrN3 — CID 1477882

IUPAC10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2c(Br)c(C)nn2c2c1CCC2
InChIInChI=1S/C11H12BrN3/c1-6-8-4-3-5-9(8)15-11(13-6)10(12)7(2)14-15/h3-5H2,1-2H3
InChIKeyGXHZUTNIDJRSGZ-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.60
Rot. Bonds

About 10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 1477882) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID1477882
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCc1nc2c(Br)c(C)nn2c2c1CCC2
InChIInChI=1S/C11H12BrN3/c1-6-8-4-3-5-9(8)15-11(13-6)10(12)7(2)14-15/h3-5H2,1-2H3
InChIKeyGXHZUTNIDJRSGZ-UHFFFAOYSA-N
XLogP2.60
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 1477871
3-chloro-2,5-dimethyl-7,8-dihydro-6H-cyclopenta[e]pyrazolo[1,5-a]pyrimidine
CID 1477880
1,2,3,7,8,9-Hexahydrocyclopenta[d]cyclopenta[3,4]pyrazolo[1,5-a]pyrimidin-6-amine
CID 3163254
3-Bromo-2-tert-butyl-7-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2819672
2-Ethyl-3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 4568581
2-tert-butyl-5-methyl-7,8-dihydro-6H-cyclopenta(e)pyrazolo(1,5-a)pyrimidine
CID 91406043
2-Ethyl-3,5,6,7-tetramethyl-pyrazolo[1,5-a]pyrimidine
CID 703981
7-Bromo-3-t-butyl-4-butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine
CID 166175092
3-Bromo-5-tert-butyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4774208
3-Bromo-5-cyclopropyl-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 17021132
3-Bromo-5,6,7,8-tetrahydro-2-methyl-9-(trifluoromethyl)pyrazolo-[5,1-B]-quinazoline
CID 49761458
3-Bromo-6,7-dihydro-2-methyl-8-trifluoromethyl-5H-cyclopenta-[E]-pyrimidine-[3,2-B]-pyrazole
CID 49761460

Frequently Asked Questions

What is the IUPAC name of 10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 1477882) is 10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is Cc1nc2c(Br)c(C)nn2c2c1CCC2.
What is the InChIKey of 10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is GXHZUTNIDJRSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-6-8-4-3-5-9(8)15-11(13-6)10(12)7(2)14-15/h3-5H2,1-2H3.
What are the key properties of 10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene?
10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 266.14 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-bromo-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 1477882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).