6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

C10H5Br2N3 — CID 155229147

IUPAC6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESBrc1cncc2c1[nH]c1c(Br)cncc12
InChIInChI=1S/C10H5Br2N3/c11-7-3-13-1-5-6-2-14-4-8(12)10(6)15-9(5)7/h1-4,15H
InChIKeyLDKMZQHEJDMDNF-UHFFFAOYSA-N
MW326.98 g/mol
LogP3.64
Rot. Bonds

About 6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene

6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (PubChem CID 155229147) has the molecular formula C10H5Br2N3 and a molecular weight of 326.98 g/mol. Its IUPAC name is 6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.

Molecular Properties

Compound Name6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
PubChem CID155229147
Molecular FormulaC10H5Br2N3
Molecular Weight326.98 g/mol
Exact Mass324.89
IUPAC Name6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene
SMILESBrc1cncc2c1[nH]c1c(Br)cncc12
InChIInChI=1S/C10H5Br2N3/c11-7-3-13-1-5-6-2-14-4-8(12)10(6)15-9(5)7/h1-4,15H
InChIKeyLDKMZQHEJDMDNF-UHFFFAOYSA-N
XLogP3.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.98
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Bromo-5-azaindole
CID 15692030
7-Bromo-1H-pyrrolo(3,2-c)pyridine
CID 44721299
7-Bromo-5H-pyrido(4,3-b)indole
CID 71079324
3-[2-(3,5-dibromopyridin-1-ium-1-yl)ethyl]-1H-indole bromide
CID 145975074
5h-Pyrrolo[3,2-c:4,5-c']dipyridine
CID 290269
4-Bromo-1H-pyrrolo(3,2-c)pyridine
CID 24729217
6-Bromo-1H-pyrrolo(3,2-c)pyridine
CID 24729218
4,7-dibromo-1H-pyrrolo(3,2-c)pyridine
CID 24729441
3-[(E)-2-pyridin-3-ylethenyl]-1H-pyrrolo[3,2-c]pyridine
CID 53392944
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
2-pyridin-4-yl-1H-pyrrolo[3,2-c]pyridine
CID 60145701
3-bromo-2-methyl-1H-pyrrolo[3,2-c]pyridine
CID 119094684

Frequently Asked Questions

What is the IUPAC name of 6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The IUPAC name of 6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene (CID 155229147) is 6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene.
What is the SMILES notation for 6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The canonical SMILES for 6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is Brc1cncc2c1[nH]c1c(Br)cncc12.
What is the InChIKey of 6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
The InChIKey is LDKMZQHEJDMDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2N3/c11-7-3-13-1-5-6-2-14-4-8(12)10(6)15-9(5)7/h1-4,15H.
What are the key properties of 6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene?
6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene has a molecular weight of 326.98 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dibromo-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2,4,6,9,11-hexaene is sourced from PubChem (CID 155229147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).