[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C19H27N5O3 — CID 55995734

About [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 55995734) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

• Compound Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• PubChem CID: 55995734
• Molecular Formula: C19H27N5O3
• Molecular Weight: 373.46 g/mol
• Exact Mass: 373.21
• IUPAC Name: [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
• SMILES: CC(C)c1c(C(=O)OCC(=O)NC2CCCC(C)C2C)cnc2ncnn12
• InChI: InChI=1S/C19H27N5O3/c1-11(2)17-14(8-20-19-21-10-22-24(17)19)18(26)27-9-16(25)23-15-7-5-6-12(3)13(15)4/h8,10-13,15H,5-7,9H2,1-4H3,(H,23,25)
• InChIKey: IOIMQJLYVCIJPK-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.46
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CID 55995734) is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate.

What is the SMILES notation for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The canonical SMILES for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is CC(C)c1c(C(=O)OCC(=O)NC2CCCC(C)C2C)cnc2ncnn12.

What is the InChIKey of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

The InChIKey is IOIMQJLYVCIJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-11(2)17-14(8-20-19-21-10-22-24(17)19)18(26)27-9-16(25)23-15-7-5-6-12(3)13(15)4/h8,10-13,15H,5-7,9H2,1-4H3,(H,23,25).

What are the key properties of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate?

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 373.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 55995734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).