N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide

C18H18N4O — CID 146126691

IUPACN-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCn1c(CCNC(=O)c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C18H18N4O/c1-22-16(20-21-17(22)14-8-4-2-5-9-14)12-13-19-18(23)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,23)
InChIKeyWECUKUNGTFOLIO-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.45
Rot. Bonds5

About N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide

N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide (PubChem CID 146126691) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide
PubChem CID146126691
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide
SMILESCn1c(CCNC(=O)c2ccccc2)nnc1-c1ccccc1
InChIInChI=1S/C18H18N4O/c1-22-16(20-21-17(22)14-8-4-2-5-9-14)12-13-19-18(23)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,23)
InChIKeyWECUKUNGTFOLIO-UHFFFAOYSA-N
XLogP2.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-difluoro-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 146126693
N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-3-phenylbut-2-enamide
CID 91944345
5-methyl-2-(3-methylphenyl)-N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]-1H-imidazole-4-carboxamide
CID 167833427
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 154775706
4-phenyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]benzamide
CID 110717254
tert-butyl 3-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 75478447
N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylbenzamide
CID 110320276
N-(2-aminoethyl)benzamide;ethane
CID 143976252
2-benzamidoethyl(chloro)mercury
CID 70399484
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 166416650
N-[2-(6-benzylsulfanyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]benzamide
CID 7207571
N-[2-[6-(butylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]benzamide
CID 7207669

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The IUPAC name of N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide (CID 146126691) is N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide is Cn1c(CCNC(=O)c2ccccc2)nnc1-c1ccccc1.
What is the InChIKey of N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide?
The InChIKey is WECUKUNGTFOLIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-22-16(20-21-17(22)14-8-4-2-5-9-14)12-13-19-18(23)15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H,19,23).
What are the key properties of N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide?
N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide has a molecular weight of 306.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 146126691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).