N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

C18H21N5OS — CID 40668033

About N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide

N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (PubChem CID 40668033) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
• PubChem CID: 40668033
• Molecular Formula: C18H21N5OS
• Molecular Weight: 355.47 g/mol
• Exact Mass: 355.15
• IUPAC Name: N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
• SMILES: CCn1c2ccccc2c2nnc(SCC(=O)N[C@H](C)C3CC3)nc21
• InChI: InChI=1S/C18H21N5OS/c1-3-23-14-7-5-4-6-13(14)16-17(23)20-18(22-21-16)25-10-15(24)19-11(2)12-8-9-12/h4-7,11-12H,3,8-10H2,1-2H3,(H,19,24)/t11-/m1/s1
• InChIKey: FSEGALLUGUZEDI-LLVKDONJSA-N
• XLogP: 3.01
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.47
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?

The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide (CID 40668033) is N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide.

What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?

The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is CCn1c2ccccc2c2nnc(SCC(=O)N[C@H](C)C3CC3)nc21.

What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?

The InChIKey is FSEGALLUGUZEDI-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-3-23-14-7-5-4-6-13(14)16-17(23)20-18(22-21-16)25-10-15(24)19-11(2)12-8-9-12/h4-7,11-12H,3,8-10H2,1-2H3,(H,19,24)/t11-/m1/s1.

What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide?

N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide has a molecular weight of 355.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-cyclopropylethyl]-2-[(5-ethyl-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 40668033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).