4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine

C18H25N9 — CID 171323834

About 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine (PubChem CID 171323834) has the molecular formula C18H25N9 and a molecular weight of 367.46 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine.

Molecular Properties

• Compound Name: 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine
• PubChem CID: 171323834
• Molecular Formula: C18H25N9
• Molecular Weight: 367.46 g/mol
• Exact Mass: 367.22
• IUPAC Name: 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine
• SMILES: Cc1cc(C)n(-c2cc(N3CCN(CCn4nccn4)CC3)nc(C)n2)n1
• InChI: InChI=1S/C18H25N9/c1-14-12-15(2)27(23-14)18-13-17(21-16(3)22-18)25-9-6-24(7-10-25)8-11-26-19-4-5-20-26/h4-5,12-13H,6-11H2,1-3H3
• InChIKey: MBZUVRHCXQYEFN-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 80.79 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.46
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine?

The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine (CID 171323834) is 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine.

What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine?

The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine is Cc1cc(C)n(-c2cc(N3CCN(CCn4nccn4)CC3)nc(C)n2)n1.

What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine?

The InChIKey is MBZUVRHCXQYEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N9/c1-14-12-15(2)27(23-14)18-13-17(21-16(3)22-18)25-9-6-24(7-10-25)8-11-26-19-4-5-20-26/h4-5,12-13H,6-11H2,1-3H3.

What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine?

4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine has a molecular weight of 367.46 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-dimethylpyrazol-1-yl)-2-methyl-6-[4-[2-(triazol-2-yl)ethyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 171323834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).