15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene

C17H23BrN2 — CID 115403550

IUPAC15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene
SMILESBrc1ccc2nc3c(n2c1)CCCCCCCCCC3
InChIInChI=1S/C17H23BrN2/c18-14-11-12-17-19-15-9-7-5-3-1-2-4-6-8-10-16(15)20(17)13-14/h11-13H,1-10H2
InChIKeyZGNHMXANKXYHFA-UHFFFAOYSA-N
MW335.29 g/mol
LogP5.32
Rot. Bonds

About 15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene

15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene (PubChem CID 115403550) has the molecular formula C17H23BrN2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene.

Molecular Properties

Compound Name15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene
PubChem CID115403550
Molecular FormulaC17H23BrN2
Molecular Weight335.29 g/mol
Exact Mass334.10
IUPAC Name15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene
SMILESBrc1ccc2nc3c(n2c1)CCCCCCCCCC3
InChIInChI=1S/C17H23BrN2/c18-14-11-12-17-19-15-9-7-5-3-1-2-4-6-8-10-16(15)20(17)13-14/h11-13H,1-10H2
InChIKeyZGNHMXANKXYHFA-UHFFFAOYSA-N
XLogP5.32
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.29
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraene
CID 115403840
12-bromo-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-3-carboxylic acid
CID 122540226
2-bromo-9-methyl-6,7-dihydropyrido[1,2-a]benzimidazole
CID 122629758
4-bromo-14-(2-methoxyphenyl)-2,8-diazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene
CID 122621394
2,5,8-triazatricyclo[7.5.0.02,7]tetradeca-1(9),3,5,7-tetraene
CID 51345842
12-bromo-5-oxa-10,16-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),2(6),3,11,13,15-hexaene
CID 115467528
2-bromo-7,9-dimethyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
CID 115403526
2,8-diazatricyclo[7.6.0.02,7]pentadeca-1(9),3,5,7-tetraen-5-ylmethanamine
CID 81462726
6-bromo-N,2-dicyclohexylimidazo[1,2-a]pyridin-3-amine
CID 3670633
5-bromo-15-methyl-3,9,15-triazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),4,6,8-tetraene
CID 115403554
1,7,10-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
CID 104573617
6-bromo-N-cyclohexyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-amine
CID 808920

Frequently Asked Questions

What is the IUPAC name of 15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene?
The IUPAC name of 15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene (CID 115403550) is 15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene.
What is the SMILES notation for 15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene?
The canonical SMILES for 15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene is Brc1ccc2nc3c(n2c1)CCCCCCCCCC3.
What is the InChIKey of 15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene?
The InChIKey is ZGNHMXANKXYHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2/c18-14-11-12-17-19-15-9-7-5-3-1-2-4-6-8-10-16(15)20(17)13-14/h11-13H,1-10H2.
What are the key properties of 15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene?
15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene has a molecular weight of 335.29 g/mol, XLogP of 5.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-bromo-13,19-diazatricyclo[10.7.0.013,18]nonadeca-1(12),14,16,18-tetraene is sourced from PubChem (CID 115403550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).