2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one

C11H15N5O — CID 84796083

About 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one

2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one (PubChem CID 84796083) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one
• PubChem CID: 84796083
• Molecular Formula: C11H15N5O
• Molecular Weight: 233.27 g/mol
• Exact Mass: 233.13
• IUPAC Name: 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one
• SMILES: Cc1nc2nc(C(=O)C(C)N)nn2c(C)c1C
• InChI: InChI=1S/C11H15N5O/c1-5-7(3)13-11-14-10(9(17)6(2)12)15-16(11)8(5)4/h6H,12H2,1-4H3
• InChIKey: SHMMGZBSOGIYIC-UHFFFAOYSA-N
• XLogP: 0.58
• TPSA: 86.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.27
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one?

The IUPAC name of 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one (CID 84796083) is 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one.

What is the SMILES notation for 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one?

The canonical SMILES for 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one is Cc1nc2nc(C(=O)C(C)N)nn2c(C)c1C.

What is the InChIKey of 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one?

The InChIKey is SHMMGZBSOGIYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-5-7(3)13-11-14-10(9(17)6(2)12)15-16(11)8(5)4/h6H,12H2,1-4H3.

What are the key properties of 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one?

2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one has a molecular weight of 233.27 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-1-(5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-1-one is sourced from PubChem (CID 84796083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).