N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine

C14H22N6 — CID 63854044

About N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine

N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine (PubChem CID 63854044) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine.

Molecular Properties

• Compound Name: N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine
• PubChem CID: 63854044
• Molecular Formula: C14H22N6
• Molecular Weight: 274.37 g/mol
• Exact Mass: 274.19
• IUPAC Name: N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine
• SMILES: CNC(C)C1CCCN(c2cc(C)nc3ncnn23)C1
• InChI: InChI=1S/C14H22N6/c1-10-7-13(20-14(18-10)16-9-17-20)19-6-4-5-12(8-19)11(2)15-3/h7,9,11-12,15H,4-6,8H2,1-3H3
• InChIKey: SRBPLOMFCMSZME-UHFFFAOYSA-N
• XLogP: 1.26
• TPSA: 58.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.37
LogP ≤ 5	1.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine (CID 63854044) is N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine.

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

The canonical SMILES for N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine is CNC(C)C1CCCN(c2cc(C)nc3ncnn23)C1.

What is the InChIKey of N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine?

The InChIKey is SRBPLOMFCMSZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-10-7-13(20-14(18-10)16-9-17-20)19-6-4-5-12(8-19)11(2)15-3/h7,9,11-12,15H,4-6,8H2,1-3H3.

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

N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine has a molecular weight of 274.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-1-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 63854044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).