1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

C17H14N4OS — CID 750416

IUPAC1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCn1cnnc1SCC(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C17H14N4OS/c1-20-11-18-19-17(20)23-10-16(22)21-14-8-4-2-6-12(14)13-7-3-5-9-15(13)21/h2-9,11H,10H2,1H3
InChIKeyQUBGIRZTBAOASX-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.36
Rot. Bonds3

About 1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone (PubChem CID 750416) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
PubChem CID750416
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILESCn1cnnc1SCC(=O)n1c2ccccc2c2ccccc21
InChIInChI=1S/C17H14N4OS/c1-20-11-18-19-17(20)23-10-16(22)21-14-8-4-2-6-12(14)13-7-3-5-9-15(13)21/h2-9,11H,10H2,1H3
InChIKeyQUBGIRZTBAOASX-UHFFFAOYSA-N
XLogP3.36
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The IUPAC name of 1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CID 750416) is 1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The canonical SMILES for 1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone is Cn1cnnc1SCC(=O)n1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The InChIKey is QUBGIRZTBAOASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-20-11-18-19-17(20)23-10-16(22)21-14-8-4-2-6-12(14)13-7-3-5-9-15(13)21/h2-9,11H,10H2,1H3.
What are the key properties of 1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone has a molecular weight of 322.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone is sourced from PubChem (CID 750416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).