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

C18H18N4O — CID 46987299

IUPACN-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(-c2ccccc2)nn1-c1cccc(C)c1
InChIInChI=1S/C18H18N4O/c1-13-7-6-10-16(11-13)22-17(12-19-14(2)23)20-18(21-22)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,19,23)
InChIKeyBSMBURDPPRCCDJ-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.88
Rot. Bonds4

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

N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide (PubChem CID 46987299) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
PubChem CID46987299
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC NameN-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
SMILESCC(=O)NCc1nc(-c2ccccc2)nn1-c1cccc(C)c1
InChIInChI=1S/C18H18N4O/c1-13-7-6-10-16(11-13)22-17(12-19-14(2)23)20-18(21-22)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,19,23)
InChIKeyBSMBURDPPRCCDJ-UHFFFAOYSA-N
XLogP2.88
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,5-difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide
CID 46993845
1-(3-methylphenyl)-N-(2-methylpropyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692739
1-(3-methylphenyl)-5-phenyl-3-(3-phenylphenyl)-1,2,4-triazole
CID 130289066
N-hydroxy-4-[[2-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methylamino]benzamide
CID 164619515
1-(3-methylphenyl)-5-phenyl-N-propyl-1,2,4-triazole-3-carboxamide
CID 50745472
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
N-[2-[2-(2-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]ethyl]acetamide
CID 46994346
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682
N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6459027
N,N-diethyl-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42758335
2-[3-(acetamidomethyl)phenyl]-N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-5-methylpyrazole-3-carboxamide
CID 134397013
N-(1,2-diphenylethyl)-1-(3-methylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 42692756

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide?
The IUPAC name of N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide (CID 46987299) is N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide is CC(=O)NCc1nc(-c2ccccc2)nn1-c1cccc(C)c1.
What is the InChIKey of N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide?
The InChIKey is BSMBURDPPRCCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-13-7-6-10-16(11-13)22-17(12-19-14(2)23)20-18(21-22)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3,(H,19,23).
What are the key properties of N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide?
N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide has a molecular weight of 306.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]methyl]acetamide is sourced from PubChem (CID 46987299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).