5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene

C13H14BrN3 — CID 115403554

IUPAC5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene
SMILESCN1C2CCC1c1c(nc3ccc(Br)cn13)C2
InChIInChI=1S/C13H14BrN3/c1-16-9-3-4-11(16)13-10(6-9)15-12-5-2-8(14)7-17(12)13/h2,5,7,9,11H,3-4,6H2,1H3
InChIKeyHBTAFXZFACOGRI-UHFFFAOYSA-N
MW292.18 g/mol
LogP2.79
Rot. Bonds

About 5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene

5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene (PubChem CID 115403554) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene.

Molecular Properties

Compound Name5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene
PubChem CID115403554
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene
SMILESCN1C2CCC1c1c(nc3ccc(Br)cn13)C2
InChIInChI=1S/C13H14BrN3/c1-16-9-3-4-11(16)13-10(6-9)15-12-5-2-8(14)7-17(12)13/h2,5,7,9,11H,3-4,6H2,1H3
InChIKeyHBTAFXZFACOGRI-UHFFFAOYSA-N
XLogP2.79
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene
CID 115404541
2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403526
15-methyl-3,6,9,15-tetrazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene
CID 104573601
4-(2-bromophenyl)-11-methyl-3-thia-5,11-diazatricyclo[6.2.1.02,6]undeca-2(6),4-diene
CID 79831088
6-bromo-3-methyl-2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 115053246
4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene
CID 122621394
15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene
CID 115403550
(3R)-12-bromo-3-[2-(difluoromethoxy)phenyl]-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene
CID 118152477
2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole
CID 122629758
12-methyl-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 121183361
N-(6-bromo-2-cyclopropylimidazo[1,2-a]pyridin-3-yl)-N-methylformamide
CID 90446622
6-bromo-2-(2-methylpropyl)imidazo[1,2-a]pyridin-3-amine
CID 63618962

Frequently Asked Questions

What is the IUPAC name of 5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene?
The IUPAC name of 5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene (CID 115403554) is 5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene.
What is the SMILES notation for 5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene?
The canonical SMILES for 5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene is CN1C2CCC1c1c(nc3ccc(Br)cn13)C2.
What is the InChIKey of 5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene?
The InChIKey is HBTAFXZFACOGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-16-9-3-4-11(16)13-10(6-9)15-12-5-2-8(14)7-17(12)13/h2,5,7,9,11H,3-4,6H2,1H3.
What are the key properties of 5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene?
5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene has a molecular weight of 292.18 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene is sourced from PubChem (CID 115403554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).