3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one

C18H21N5O2 — CID 74242169

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 74242169) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one
• PubChem CID: 74242169
• Molecular Formula: C18H21N5O2
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.17
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCC1c1ccco1
• InChI: InChI=1S/C18H21N5O2/c1-12-14(13(2)23-18(21-12)19-11-20-23)7-8-17(24)22-9-3-5-15(22)16-6-4-10-25-16/h4,6,10-11,15H,3,5,7-9H2,1-2H3
• InChIKey: KAGOUYNFIYDSOF-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 76.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one?

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one (CID 74242169) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one.

What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one?

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one is Cc1nc2ncnn2c(C)c1CCC(=O)N1CCCC1c1ccco1.

What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one?

The InChIKey is KAGOUYNFIYDSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-14(13(2)23-18(21-12)19-11-20-23)7-8-17(24)22-9-3-5-15(22)16-6-4-10-25-16/h4,6,10-11,15H,3,5,7-9H2,1-2H3.

What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one?

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 339.40 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 74242169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).