(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

C12H16N6O — CID 94173217

About (3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide

(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (PubChem CID 94173217) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is (3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: (3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
• PubChem CID: 94173217
• Molecular Formula: C12H16N6O
• Molecular Weight: 260.30 g/mol
• Exact Mass: 260.14
• IUPAC Name: (3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
• SMILES: Cc1cc(N2CCC[C@H](C(N)=O)C2)n2ncnc2n1
• InChI: InChI=1S/C12H16N6O/c1-8-5-10(18-12(16-8)14-7-15-18)17-4-2-3-9(6-17)11(13)19/h5,7,9H,2-4,6H2,1H3,(H2,13,19)/t9-/m0/s1
• InChIKey: WMEKFFAZWQEJIY-VIFPVBQESA-N
• XLogP: 0.13
• TPSA: 89.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.30
LogP ≤ 5	0.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide (CID 94173217) is (3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide.

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

The canonical SMILES for (3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is Cc1cc(N2CCC[C@H](C(N)=O)C2)n2ncnc2n1.

What is the InChIKey of (3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide?

The InChIKey is WMEKFFAZWQEJIY-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N6O/c1-8-5-10(18-12(16-8)14-7-15-18)17-4-2-3-9(6-17)11(13)19/h5,7,9H,2-4,6H2,1H3,(H2,13,19)/t9-/m0/s1.

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

(3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide is sourced from PubChem (CID 94173217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).