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

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Related Compounds

N-(3-acetamido-1-adamantyl)acetamide
CID 2817797
(5S,7R)-N-[(2R)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-(3-methyl-1,2,4-triazol-1-yl)adamantane-1-carboxamide
CID 51585058
N-(3-hydroxy-1-adamantyl)acetamide
CID 2842792
N-[(5S,7S)-3-hydroxy-1-adamantyl]acetamide
CID 98051722
1-(5-methyl-1H-1,2,4-triazol-3-yl)-3-[(5S,7S)-3-(1,2,4-triazol-1-yl)-1-adamantyl]urea
CID 98318877
4-(5-methylfuran-2-yl)-N-[3-(1,2,4-triazol-1-yl)-1-adamantyl]benzamide
CID 131947036
(5R,7R)-3-acetamido-N-[4-(3-methylpyrazol-1-yl)phenyl]adamantane-1-carboxamide
CID 98215106
(5S,7R)-3-(3-chloro-1,2,4-triazol-1-yl)adamantan-1-ol
CID 709729
4-(aminomethyl)-N-[3-(5-methyltetrazol-2-yl)-1-adamantyl]benzamide
CID 122566237
3-acetamido-N-(1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 2999599
N-[3-[5-chloro-4-(4-fluoroanilino)-6-oxopyridazin-1-yl]-1-adamantyl]acetamide
CID 46248915
[(5S,7R)-3-(3-chloro-1,2,4-triazol-1-yl)-1-adamantyl]-[(5R)-5-(difluoromethyl)-5-hydroxy-3-methyl-4H-pyrazol-1-yl]methanone
CID 51422215

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).