(2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C24H24N6OS — CID 41133228

About (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 41133228) has the molecular formula C24H24N6OS and a molecular weight of 444.56 g/mol. Its IUPAC name is (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
• PubChem CID: 41133228
• Molecular Formula: C24H24N6OS
• Molecular Weight: 444.56 g/mol
• Exact Mass: 444.17
• IUPAC Name: (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
• SMILES: CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1
• InChI: InChI=1S/C24H24N6OS/c1-16(2)30-20(14-15-25-30)26-23(31)17(3)32-24-27-21(18-10-6-4-7-11-18)22(28-29-24)19-12-8-5-9-13-19/h4-17H,1-3H3,(H,26,31)/t17-/m1/s1
• InChIKey: XAXZGOOTOBRTFS-QGZVFWFLSA-N
• XLogP: 5.10
• TPSA: 85.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.56
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?

The IUPAC name of (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 41133228) is (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

What is the SMILES notation for (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?

The canonical SMILES for (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1.

What is the InChIKey of (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?

The InChIKey is XAXZGOOTOBRTFS-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H24N6OS/c1-16(2)30-20(14-15-25-30)26-23(31)17(3)32-24-27-21(18-10-6-4-7-11-18)22(28-29-24)19-12-8-5-9-13-19/h4-17H,1-3H3,(H,26,31)/t17-/m1/s1.

What are the key properties of (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?

(2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 444.56 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 41133228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).