N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

C18H21N5O3 — CID 91641148

About N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide

N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (PubChem CID 91641148) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

Molecular Properties

• Compound Name: N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
• PubChem CID: 91641148
• Molecular Formula: C18H21N5O3
• Molecular Weight: 355.40 g/mol
• Exact Mass: 355.16
• IUPAC Name: N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide
• SMILES: Cc1nc2nc[nH]n2c(=O)c1CCC(=O)NC(CO)Cc1ccccc1
• InChI: InChI=1S/C18H21N5O3/c1-12-15(17(26)23-18(21-12)19-11-20-23)7-8-16(25)22-14(10-24)9-13-5-3-2-4-6-13/h2-6,11,14,24H,7-10H2,1H3,(H,22,25)(H,19,20,21)
• InChIKey: DRNMTEQTSZDEOZ-UHFFFAOYSA-N
• XLogP: 0.38
• TPSA: 112.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.40
LogP ≤ 5	0.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide (CID 91641148) is N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide.

What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is Cc1nc2nc[nH]n2c(=O)c1CCC(=O)NC(CO)Cc1ccccc1.

What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

The InChIKey is DRNMTEQTSZDEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-12-15(17(26)23-18(21-12)19-11-20-23)7-8-16(25)22-14(10-24)9-13-5-3-2-4-6-13/h2-6,11,14,24H,7-10H2,1H3,(H,22,25)(H,19,20,21).

What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide?

N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide has a molecular weight of 355.40 g/mol, XLogP of 0.38, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-hydroxy-3-phenylpropan-2-yl)-3-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 91641148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).