N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide

C15H18N4O2 — CID 15943515

IUPACN-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCn2nc(C)nc2C)c1
InChIInChI=1S/C15H18N4O2/c1-10(20)13-5-4-6-14(9-13)17-15(21)7-8-19-12(3)16-11(2)18-19/h4-6,9H,7-8H2,1-3H3,(H,17,21)
InChIKeyFKHDEZMGTLLOBV-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.13
Rot. Bonds5

About N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide

N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide (PubChem CID 15943515) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide
PubChem CID15943515
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)CCn2nc(C)nc2C)c1
InChIInChI=1S/C15H18N4O2/c1-10(20)13-5-4-6-14(9-13)17-15(21)7-8-19-12(3)16-11(2)18-19/h4-6,9H,7-8H2,1-3H3,(H,17,21)
InChIKeyFKHDEZMGTLLOBV-UHFFFAOYSA-N
XLogP2.13
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)-2-[(4-ethyl-5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 864669
N-(3-acetylphenyl)-2-({5-[(ethylthio)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide
CID 2233375
N-(3-Acetyl-phenyl)-2-(4-ethyl-5-isopropyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide
CID 653605
N-(3-acetylphenyl)-4-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzamide
CID 16031693
4-(5-Carbamoylmethylsulfanyl-4-methyl-4H-[1,2,4]triazol-3-yl)-piperidine-1-carboxylic acid (3-acetyl-phenyl)-amide
CID 650390
2-{4-methyl-5-[(2-oxo-2-phenylethyl)thio]-4H-1,2,4-triazol-3-yl}-N-phenylacetamide
CID 1262282
N-(3-acetylphenyl)-2-[[4-benzyl-5-[1-(dimethylamino)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3910975
3-(Dimethylamino)-N-(3-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyridin-3-YL}phenyl)benzamide
CID 91889101
N-(4-acetylphenyl)-2-(5-amino-3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 145983674
N-(4-acetylphenyl)-2-[5-amino-3-(trifluoromethyl)-1,2,4-triazol-1-yl]acetamide
CID 145991468
4-acetamido-N-[3-(1,2,4-triazol-1-yl)propyl]benzamide
CID 13588888
N-[3-(tert-butylcarbamoyl)-2-methylphenyl]-1H-1,2,4-triazole-5-carboxamide
CID 46998939

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide (CID 15943515) is N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide is CC(=O)c1cccc(NC(=O)CCn2nc(C)nc2C)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide?
The InChIKey is FKHDEZMGTLLOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(20)13-5-4-6-14(9-13)17-15(21)7-8-19-12(3)16-11(2)18-19/h4-6,9H,7-8H2,1-3H3,(H,17,21).
What are the key properties of N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide?
N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide has a molecular weight of 286.34 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 15943515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).