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

C20H31N7 — CID 70724784

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

4-ethyl-6-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine (PubChem CID 70724784) has the molecular formula C20H31N7 and a molecular weight of 369.52 g/mol. Its IUPAC name is 4-ethyl-6-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

• Compound Name: 4-ethyl-6-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
• PubChem CID: 70724784
• Molecular Formula: C20H31N7
• Molecular Weight: 369.52 g/mol
• Exact Mass: 369.26
• IUPAC Name: 4-ethyl-6-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
• SMILES: CCc1cc(N2CCCC(c3nnc(CN4CCCCC4)n3C)C2)ncn1
• InChI: InChI=1S/C20H31N7/c1-3-17-12-18(22-15-21-17)27-11-7-8-16(13-27)20-24-23-19(25(20)2)14-26-9-5-4-6-10-26/h12,15-16H,3-11,13-14H2,1-2H3
• InChIKey: JJLAITAZOWQRKM-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 62.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.52
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-ethyl-6-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine (CID 70724784) is 4-ethyl-6-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine.

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

The canonical SMILES for 4-ethyl-6-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine is CCc1cc(N2CCCC(c3nnc(CN4CCCCC4)n3C)C2)ncn1.

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

The InChIKey is JJLAITAZOWQRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7/c1-3-17-12-18(22-15-21-17)27-11-7-8-16(13-27)20-24-23-19(25(20)2)14-26-9-5-4-6-10-26/h12,15-16H,3-11,13-14H2,1-2H3.

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

4-ethyl-6-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine has a molecular weight of 369.52 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-ethyl-6-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 70724784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).