N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide

C15H22N4O — CID 3995040

IUPACN-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide
SMILESCC(=O)NC12CC3CC(C1)CC(n1cnc(C)n1)(C3)C2
InChIInChI=1S/C15H22N4O/c1-10-16-9-19(18-10)15-6-12-3-13(7-15)5-14(4-12,8-15)17-11(2)20/h9,12-13H,3-8H2,1-2H3,(H,17,20)
InChIKeyQJIZRZHHPCYQMO-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.77
Rot. Bonds2

About N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide

N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide (PubChem CID 3995040) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide
PubChem CID3995040
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide
SMILESCC(=O)NC12CC3CC(C1)CC(n1cnc(C)n1)(C3)C2
InChIInChI=1S/C15H22N4O/c1-10-16-9-19(18-10)15-6-12-3-13(7-15)5-14(4-12,8-15)17-11(2)20/h9,12-13H,3-8H2,1-2H3,(H,17,20)
InChIKeyQJIZRZHHPCYQMO-UHFFFAOYSA-N
XLogP1.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide?
The IUPAC name of N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide (CID 3995040) is N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide.
What is the SMILES notation for N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide?
The canonical SMILES for N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide is CC(=O)NC12CC3CC(C1)CC(n1cnc(C)n1)(C3)C2.
What is the InChIKey of N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide?
The InChIKey is QJIZRZHHPCYQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10-16-9-19(18-10)15-6-12-3-13(7-15)5-14(4-12,8-15)17-11(2)20/h9,12-13H,3-8H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide?
N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide has a molecular weight of 274.37 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methyl-1,2,4-triazol-1-yl)-1-adamantyl]acetamide is sourced from PubChem (CID 3995040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).