1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol

C11H15N5O — CID 146133919

About 1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol

1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol (PubChem CID 146133919) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol.

Molecular Properties

• Compound Name: 1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
• PubChem CID: 146133919
• Molecular Formula: C11H15N5O
• Molecular Weight: 233.27 g/mol
• Exact Mass: 233.13
• IUPAC Name: 1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol
• SMILES: Cc1cc(NC2CC(C)(O)C2)n2ncnc2n1
• InChI: InChI=1S/C11H15N5O/c1-7-3-9(15-8-4-11(2,17)5-8)16-10(14-7)12-6-13-16/h3,6,8,15,17H,4-5H2,1-2H3
• InChIKey: HTRPHNLZGPHQJR-UHFFFAOYSA-N
• XLogP: 0.76
• TPSA: 75.34 Ų
• H-Bond Donors: 2
• 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	0.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol?

The IUPAC name of 1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol (CID 146133919) is 1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol.

What is the SMILES notation for 1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol?

The canonical SMILES for 1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol is Cc1cc(NC2CC(C)(O)C2)n2ncnc2n1.

What is the InChIKey of 1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol?

The InChIKey is HTRPHNLZGPHQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-3-9(15-8-4-11(2,17)5-8)16-10(14-7)12-6-13-16/h3,6,8,15,17H,4-5H2,1-2H3.

What are the key properties of 1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol?

1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol has a molecular weight of 233.27 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-3-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 146133919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).