3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole

C22H17BrN4 — CID 139237547

IUPAC3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole
SMILESCn1c2ccc(Br)cc2c2cc(-c3cn(Cc4ccccc4)nn3)ccc21
InChIInChI=1S/C22H17BrN4/c1-26-21-9-7-16(11-18(21)19-12-17(23)8-10-22(19)26)20-14-27(25-24-20)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3
InChIKeyLKNVPHBVSYRCIK-UHFFFAOYSA-N
MW417.31 g/mol
LogP5.40
Rot. Bonds3

About 3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole

3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole (PubChem CID 139237547) has the molecular formula C22H17BrN4 and a molecular weight of 417.31 g/mol. Its IUPAC name is 3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole.

Molecular Properties

Compound Name3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole
PubChem CID139237547
Molecular FormulaC22H17BrN4
Molecular Weight417.31 g/mol
Exact Mass416.06
IUPAC Name3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole
SMILESCn1c2ccc(Br)cc2c2cc(-c3cn(Cc4ccccc4)nn3)ccc21
InChIInChI=1S/C22H17BrN4/c1-26-21-9-7-16(11-18(21)19-12-17(23)8-10-22(19)26)20-14-27(25-24-20)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3
InChIKeyLKNVPHBVSYRCIK-UHFFFAOYSA-N
XLogP5.40
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.31
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole 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

Mbq-167
CID 129896932
1-(Benzotriazol-1-yl)-3-(3,6-dibromocarbazol-9-yl)propan-2-ol
CID 2858891
5-Bromo-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 14146974
16-Bromo-9,12,20-triazapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 14783706
6-bromo-2-(3-phenylpropyl)-9H-pyrido[3,4-b]indol-2-ium bromide
CID 46233466
6-bromo-2-(naphthalen-1-ylmethyl)-9H-pyrido[3,4-b]indol-2-ium bromide
CID 46237762
5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
CID 72734840
5-bromo-3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
CID 72734842
2-[[1-(4-Bromophenyl)triazol-4-yl]methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 155523755
9-[[1-(Pyridin-3-ylmethyl)triazol-4-yl]methyl]carbazole
CID 155537853
1-(3-Bromophenyl)-2-[4-(carbazol-9-ylmethyl)triazol-1-yl]ethanone
CID 155553251
6-bromo-2-(3-propylphenyl)-9H-pyrido[3,4-b]indol-2-ium bromide
CID 168280875

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole?
The IUPAC name of 3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole (CID 139237547) is 3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole.
What is the SMILES notation for 3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole?
The canonical SMILES for 3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole is Cn1c2ccc(Br)cc2c2cc(-c3cn(Cc4ccccc4)nn3)ccc21.
What is the InChIKey of 3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole?
The InChIKey is LKNVPHBVSYRCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17BrN4/c1-26-21-9-7-16(11-18(21)19-12-17(23)8-10-22(19)26)20-14-27(25-24-20)13-15-5-3-2-4-6-15/h2-12,14H,13H2,1H3.
What are the key properties of 3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole?
3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole has a molecular weight of 417.31 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyltriazol-4-yl)-6-bromo-9-methylcarbazole is sourced from PubChem (CID 139237547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).