N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide

C14H18N4O — CID 155568129

IUPACN-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C)ccc1-n1c(C)nnc1C
InChIInChI=1S/C14H18N4O/c1-9-5-6-14(13(7-9)8-15-12(4)19)18-10(2)16-17-11(18)3/h5-7H,8H2,1-4H3,(H,15,19)
InChIKeyYOOWACTYJKDGHI-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.83
Rot. Bonds3

About N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide

N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide (PubChem CID 155568129) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide
PubChem CID155568129
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide
SMILESCC(=O)NCc1cc(C)ccc1-n1c(C)nnc1C
InChIInChI=1S/C14H18N4O/c1-9-5-6-14(13(7-9)8-15-12(4)19)18-10(2)16-17-11(18)3/h5-7H,8H2,1-4H3,(H,15,19)
InChIKeyYOOWACTYJKDGHI-UHFFFAOYSA-N
XLogP1.83
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
(2,5-dimethylphenyl)methylcarbamic acid
CID 67570724
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
N-[[2-(2,5-dimethylpyrrol-1-yl)-5-methylthiophen-3-yl]methyl]acetamide
CID 166058593
ethane;N-[(2-ethylphenyl)methyl]acetamide
CID 142489172
ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen
CID 169263796
2-[(2,5-dimethylphenyl)methylamino]ethylurea
CID 83111203
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
N-[[2-(sulfanylmethyl)phenyl]methyl]acetamide
CID 145293797
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide?
The IUPAC name of N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide (CID 155568129) is N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide?
The canonical SMILES for N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide is CC(=O)NCc1cc(C)ccc1-n1c(C)nnc1C.
What is the InChIKey of N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide?
The InChIKey is YOOWACTYJKDGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-5-6-14(13(7-9)8-15-12(4)19)18-10(2)16-17-11(18)3/h5-7H,8H2,1-4H3,(H,15,19).
What are the key properties of N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide?
N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide has a molecular weight of 258.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide is sourced from PubChem (CID 155568129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).