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

C18H19F2N5O — CID 17496460

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

N-[1-(3,4-difluorophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 17496460) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-[1-(3,4-difluorophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
• PubChem CID: 17496460
• Molecular Formula: C18H19F2N5O
• Molecular Weight: 359.38 g/mol
• Exact Mass: 359.16
• IUPAC Name: N-[1-(3,4-difluorophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)NC(C)c1ccc(F)c(F)c1
• InChI: InChI=1S/C18H19F2N5O/c1-10(13-4-6-15(19)16(20)8-13)23-17(26)7-5-14-11(2)24-18-21-9-22-25(18)12(14)3/h4,6,8-10H,5,7H2,1-3H3,(H,23,26)
• InChIKey: IMCKJNZQRAMFTI-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.38
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 17496460) is N-[1-(3,4-difluorophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

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

The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NC(C)c1ccc(F)c(F)c1.

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

The InChIKey is IMCKJNZQRAMFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-10(13-4-6-15(19)16(20)8-13)23-17(26)7-5-14-11(2)24-18-21-9-22-25(18)12(14)3/h4,6,8-10H,5,7H2,1-3H3,(H,23,26).

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

N-[1-(3,4-difluorophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 359.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3,4-difluorophenyl)ethyl]-3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 17496460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).