N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide

C13H16N4O2 — CID 82201930

IUPACN-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2cc(CO)nn2)c1
InChIInChI=1S/C13H16N4O2/c1-9-3-10(2)5-11(4-9)14-13(19)7-17-6-12(8-18)15-16-17/h3-6,18H,7-8H2,1-2H3,(H,14,19)
InChIKeyGNURDJNBSHZBOD-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.03
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide

N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide (PubChem CID 82201930) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
PubChem CID82201930
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
SMILESCc1cc(C)cc(NC(=O)Cn2cc(CO)nn2)c1
InChIInChI=1S/C13H16N4O2/c1-9-3-10(2)5-11(4-9)14-13(19)7-17-6-12(8-18)15-16-17/h3-6,18H,7-8H2,1-2H3,(H,14,19)
InChIKeyGNURDJNBSHZBOD-UHFFFAOYSA-N
XLogP1.03
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62400923
2-(4-aminotriazol-1-yl)-N-(3,5-dimethylphenyl)acetamide
CID 112523866
N-(3,5-dimethylphenyl)-2-[4-(methanesulfonamido)triazol-1-yl]acetamide
CID 112523889
N-(3,5-difluorophenyl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
CID 62399634
2-[4-(aminomethyl)triazol-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 46868049
2-[4-(aminomethyl)triazol-1-yl]-N-(4-bromo-3-methylphenyl)acetamide
CID 62054484
N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399594
N-(2-acetylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399987
N-(4-methylphenyl)-2-[4-[(propan-2-ylamino)methyl]triazol-1-yl]acetamide
CID 66194141
N-(3,5-dimethylphenyl)-2-[4-[(4-oxo-3-phenylquinazolin-2-yl)sulfanylmethyl]triazol-1-yl]acetamide
CID 169409752
N-(tert-butylcarbamoyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 55067228
2-[4-(2-hydroxyethyl)triazol-1-yl]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 62401710

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide (CID 82201930) is N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide is Cc1cc(C)cc(NC(=O)Cn2cc(CO)nn2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
The InChIKey is GNURDJNBSHZBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-3-10(2)5-11(4-9)14-13(19)7-17-6-12(8-18)15-16-17/h3-6,18H,7-8H2,1-2H3,(H,14,19).
What are the key properties of N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide?
N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide has a molecular weight of 260.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 82201930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).