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

C14H22N6O — CID 133498173

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

1-[3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-2-ol (PubChem CID 133498173) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-2-ol.

Molecular Properties

• Compound Name: 1-[3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-2-ol
• PubChem CID: 133498173
• Molecular Formula: C14H22N6O
• Molecular Weight: 290.37 g/mol
• Exact Mass: 290.19
• IUPAC Name: 1-[3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-2-ol
• SMILES: Cc1cc(N2CCN(CC(C)O)CC2C)n2ncnc2n1
• InChI: InChI=1S/C14H22N6O/c1-10-6-13(20-14(17-10)15-9-16-20)19-5-4-18(7-11(19)2)8-12(3)21/h6,9,11-12,21H,4-5,7-8H2,1-3H3
• InChIKey: ZFJLRXUINYUDOA-UHFFFAOYSA-N
• XLogP: 0.32
• TPSA: 69.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	290.37
LogP ≤ 5	0.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-2-ol (CID 133498173) is 1-[3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-2-ol.

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

The canonical SMILES for 1-[3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-2-ol is Cc1cc(N2CCN(CC(C)O)CC2C)n2ncnc2n1.

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

The InChIKey is ZFJLRXUINYUDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-10-6-13(20-14(17-10)15-9-16-20)19-5-4-18(7-11(19)2)8-12(3)21/h6,9,11-12,21H,4-5,7-8H2,1-3H3.

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

1-[3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-2-ol has a molecular weight of 290.37 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-methyl-4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 133498173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).