1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine

C19H22N8 — CID 172904272

About 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine

1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine (PubChem CID 172904272) has the molecular formula C19H22N8 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine.

Molecular Properties

• Compound Name: 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine
• PubChem CID: 172904272
• Molecular Formula: C19H22N8
• Molecular Weight: 362.44 g/mol
• Exact Mass: 362.20
• IUPAC Name: 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine
• SMILES: CCc1nnc2c(N3CC(N(C)Cc4cn5ccccc5n4)C3)nccn12
• InChI: InChI=1S/C19H22N8/c1-3-16-22-23-19-18(20-7-9-27(16)19)26-12-15(13-26)24(2)10-14-11-25-8-5-4-6-17(25)21-14/h4-9,11,15H,3,10,12-13H2,1-2H3
• InChIKey: MRXUGBDPSDJFND-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 66.86 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.44
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine?

The IUPAC name of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine (CID 172904272) is 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine.

What is the SMILES notation for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine?

The canonical SMILES for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine is CCc1nnc2c(N3CC(N(C)Cc4cn5ccccc5n4)C3)nccn12.

What is the InChIKey of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine?

The InChIKey is MRXUGBDPSDJFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8/c1-3-16-22-23-19-18(20-7-9-27(16)19)26-12-15(13-26)24(2)10-14-11-25-8-5-4-6-17(25)21-14/h4-9,11,15H,3,10,12-13H2,1-2H3.

What are the key properties of 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine?

1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine has a molecular weight of 362.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 172904272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).