3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide

C19H29N5O — CID 48861803

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide (PubChem CID 48861803) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide
• PubChem CID: 48861803
• Molecular Formula: C19H29N5O
• Molecular Weight: 343.48 g/mol
• Exact Mass: 343.24
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide
• SMILES: CCC1CCC(CNC(=O)CCc2c(C)nc3ncnn3c2C)CC1
• InChI: InChI=1S/C19H29N5O/c1-4-15-5-7-16(8-6-15)11-20-18(25)10-9-17-13(2)23-19-21-12-22-24(19)14(17)3/h12,15-16H,4-11H2,1-3H3,(H,20,25)
• InChIKey: NAYSNDQDKRXOKV-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 72.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.48
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide?

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide (CID 48861803) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide.

What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide?

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide is CCC1CCC(CNC(=O)CCc2c(C)nc3ncnn3c2C)CC1.

What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide?

The InChIKey is NAYSNDQDKRXOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-4-15-5-7-16(8-6-15)11-20-18(25)10-9-17-13(2)23-19-21-12-22-24(19)14(17)3/h12,15-16H,4-11H2,1-3H3,(H,20,25).

What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide?

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-ethylcyclohexyl)methyl]propanamide has a molecular weight of 343.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 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)-N-[(4-ethylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 48861803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).