2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide

C17H22F3N7O — CID 144770922

About 2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide

2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide (PubChem CID 144770922) has the molecular formula C17H22F3N7O and a molecular weight of 397.41 g/mol. Its IUPAC name is 2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide.

Molecular Properties

• Compound Name: 2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide
• PubChem CID: 144770922
• Molecular Formula: C17H22F3N7O
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.18
• IUPAC Name: 2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide
• SMILES: C[C@@H](/N=C1\NC(c2cccc(C(F)(F)F)n2)=NC(C)(NCC(N)=O)N1)C1CC1
• InChI: InChI=1S/C17H22F3N7O/c1-9(10-6-7-10)23-15-25-14(26-16(2,27-15)22-8-13(21)28)11-4-3-5-12(24-11)17(18,19)20/h3-5,9-10,22H,6-8H2,1-2H3,(H2,21,28)(H2,23,25,26,27)/t9-,16?/m1/s1
• InChIKey: MRAKJNNCPIAUOG-MGFKIWBESA-N
• XLogP: 0.94
• TPSA: 116.79 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.41
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide?

The IUPAC name of 2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide (CID 144770922) is 2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide.

What is the SMILES notation for 2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide?

The canonical SMILES for 2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide is C[C@@H](/N=C1\NC(c2cccc(C(F)(F)F)n2)=NC(C)(NCC(N)=O)N1)C1CC1.

What is the InChIKey of 2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide?

The InChIKey is MRAKJNNCPIAUOG-MGFKIWBESA-N. The full InChI is InChI=1S/C17H22F3N7O/c1-9(10-6-7-10)23-15-25-14(26-16(2,27-15)22-8-13(21)28)11-4-3-5-12(24-11)17(18,19)20/h3-5,9-10,22H,6-8H2,1-2H3,(H2,21,28)(H2,23,25,26,27)/t9-,16?/m1/s1.

What are the key properties of 2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide?

2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide has a molecular weight of 397.41 g/mol, XLogP of 0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[(1R)-1-cyclopropylethyl]imino-4-methyl-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3-dihydro-1,3,5-triazin-4-yl]amino]acetamide is sourced from PubChem (CID 144770922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).