5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

C14H18N8 — CID 95323188

About 5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine

5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 95323188) has the molecular formula C14H18N8 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
• PubChem CID: 95323188
• Molecular Formula: C14H18N8
• Molecular Weight: 298.35 g/mol
• Exact Mass: 298.17
• IUPAC Name: 5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
• SMILES: Cc1cc(N2CCC[C@@H](Cn3cncn3)C2)n2ncnc2n1
• InChI: InChI=1S/C14H18N8/c1-11-5-13(22-14(19-11)16-9-18-22)20-4-2-3-12(6-20)7-21-10-15-8-17-21/h5,8-10,12H,2-4,6-7H2,1H3/t12-/m1/s1
• InChIKey: JYTFAJRBVVHRLJ-GFCCVEGCSA-N
• XLogP: 0.94
• TPSA: 77.03 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.35
LogP ≤ 5	0.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The IUPAC name of 5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine (CID 95323188) is 5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine.

What is the SMILES notation for 5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The canonical SMILES for 5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is Cc1cc(N2CCC[C@@H](Cn3cncn3)C2)n2ncnc2n1.

What is the InChIKey of 5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

The InChIKey is JYTFAJRBVVHRLJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N8/c1-11-5-13(22-14(19-11)16-9-18-22)20-4-2-3-12(6-20)7-21-10-15-8-17-21/h5,8-10,12H,2-4,6-7H2,1H3/t12-/m1/s1.

What are the key properties of 5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine?

5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 298.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 95323188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).