N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

C17H25F3N6O — CID 119668399

About N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide

N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (PubChem CID 119668399) has the molecular formula C17H25F3N6O and a molecular weight of 386.42 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.

Molecular Properties

• Compound Name: N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
• PubChem CID: 119668399
• Molecular Formula: C17H25F3N6O
• Molecular Weight: 386.42 g/mol
• Exact Mass: 386.20
• IUPAC Name: N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
• SMILES: CCCCC(CN)NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C
• InChI: InChI=1S/C17H25F3N6O/c1-4-5-6-12(9-21)23-14(27)8-7-13-10(2)22-16-24-15(17(18,19)20)25-26(16)11(13)3/h12H,4-9,21H2,1-3H3,(H,23,27)
• InChIKey: RVPPMQYWEZRMBH-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 98.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.42
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?

The IUPAC name of N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide (CID 119668399) is N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide.

What is the SMILES notation for N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?

The canonical SMILES for N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is CCCCC(CN)NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C.

What is the InChIKey of N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?

The InChIKey is RVPPMQYWEZRMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N6O/c1-4-5-6-12(9-21)23-14(27)8-7-13-10(2)22-16-24-15(17(18,19)20)25-26(16)11(13)3/h12H,4-9,21H2,1-3H3,(H,23,27).

What are the key properties of N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide?

N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide has a molecular weight of 386.42 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-aminohexan-2-yl)-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide is sourced from PubChem (CID 119668399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).