(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone

C15H16N6OS — CID 136567724

About (6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone

(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 136567724) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is (6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
• PubChem CID: 136567724
• Molecular Formula: C15H16N6OS
• Molecular Weight: 328.40 g/mol
• Exact Mass: 328.11
• IUPAC Name: (6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
• SMILES: Cc1cnc2nc(C(=O)N3CCC(Cc4nccs4)C3)nn2c1
• InChI: InChI=1S/C15H16N6OS/c1-10-7-17-15-18-13(19-21(15)8-10)14(22)20-4-2-11(9-20)6-12-16-3-5-23-12/h3,5,7-8,11H,2,4,6,9H2,1H3
• InChIKey: PANJVHXKQQXGEZ-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 76.28 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	328.40
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?

The IUPAC name of (6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone (CID 136567724) is (6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone.

What is the SMILES notation for (6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?

The canonical SMILES for (6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone is Cc1cnc2nc(C(=O)N3CCC(Cc4nccs4)C3)nn2c1.

What is the InChIKey of (6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?

The InChIKey is PANJVHXKQQXGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-10-7-17-15-18-13(19-21(15)8-10)14(22)20-4-2-11(9-20)6-12-16-3-5-23-12/h3,5,7-8,11H,2,4,6,9H2,1H3.

What are the key properties of (6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone?

(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 328.40 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 136567724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).