4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol

C16H24N4O — CID 65118331

About 4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol

4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 65118331) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol
• PubChem CID: 65118331
• Molecular Formula: C16H24N4O
• Molecular Weight: 288.39 g/mol
• Exact Mass: 288.20
• IUPAC Name: 4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol
• SMILES: Cc1cc(NCC2(O)CCC(C)(C)CC2)n2ncnc2c1
• InChI: InChI=1S/C16H24N4O/c1-12-8-13(20-14(9-12)18-11-19-20)17-10-16(21)6-4-15(2,3)5-7-16/h8-9,11,17,21H,4-7,10H2,1-3H3
• InChIKey: CVQNBQGOOJWMRR-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 62.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	288.39
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol?

The IUPAC name of 4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol (CID 65118331) is 4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol.

What is the SMILES notation for 4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol?

The canonical SMILES for 4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol is Cc1cc(NCC2(O)CCC(C)(C)CC2)n2ncnc2c1.

What is the InChIKey of 4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol?

The InChIKey is CVQNBQGOOJWMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-8-13(20-14(9-12)18-11-19-20)17-10-16(21)6-4-15(2,3)5-7-16/h8-9,11,17,21H,4-7,10H2,1-3H3.

What are the key properties of 4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol?

4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-dimethyl-1-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65118331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).