2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

C22H21N5O — CID 16675009

About 2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone

2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (PubChem CID 16675009) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

Molecular Properties

• Compound Name: 2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
• PubChem CID: 16675009
• Molecular Formula: C22H21N5O
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.17
• IUPAC Name: 2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone
• SMILES: O=C(Cn1c2ccccc2c2ccccc21)N1CCn2c(nnc2C2CC2)C1
• InChI: InChI=1S/C22H21N5O/c28-21(25-11-12-26-20(13-25)23-24-22(26)15-9-10-15)14-27-18-7-3-1-5-16(18)17-6-2-4-8-19(17)27/h1-8,15H,9-14H2
• InChIKey: CNOGNCHQZQNVIF-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 55.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?

The IUPAC name of 2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone (CID 16675009) is 2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone.

What is the SMILES notation for 2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?

The canonical SMILES for 2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is O=C(Cn1c2ccccc2c2ccccc21)N1CCn2c(nnc2C2CC2)C1.

What is the InChIKey of 2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?

The InChIKey is CNOGNCHQZQNVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c28-21(25-11-12-26-20(13-25)23-24-22(26)15-9-10-15)14-27-18-7-3-1-5-16(18)17-6-2-4-8-19(17)27/h1-8,15H,9-14H2.

What are the key properties of 2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone?

2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone has a molecular weight of 371.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carbazol-9-yl-1-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone is sourced from PubChem (CID 16675009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).