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

C16H23N5O2 — CID 35233068

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide (PubChem CID 35233068) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
• PubChem CID: 35233068
• Molecular Formula: C16H23N5O2
• Molecular Weight: 317.39 g/mol
• Exact Mass: 317.19
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)[C@@H]1CCCO1
• InChI: InChI=1S/C16H23N5O2/c1-10-13(12(3)21-16(20-10)17-9-18-21)6-7-15(22)19-11(2)14-5-4-8-23-14/h9,11,14H,4-8H2,1-3H3,(H,19,22)/t11-,14+/m1/s1
• InChIKey: USAUJKINNNVEEE-RISCZKNCSA-N
• XLogP: 1.36
• TPSA: 81.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	317.39
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide (CID 35233068) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide.

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

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)N[C@H](C)[C@@H]1CCCO1.

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

The InChIKey is USAUJKINNNVEEE-RISCZKNCSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-13(12(3)21-16(20-10)17-9-18-21)6-7-15(22)19-11(2)14-5-4-8-23-14/h9,11,14H,4-8H2,1-3H3,(H,19,22)/t11-,14+/m1/s1.

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

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide has a molecular weight of 317.39 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]propanamide is sourced from PubChem (CID 35233068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).