N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide

C19H18N4O3 — CID 50752351

IUPACN-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1ncc(-c2ccc(C)cc2)nc1=O
InChIInChI=1S/C19H18N4O3/c1-13-7-9-14(10-8-13)16-11-20-23(19(25)22-16)12-18(24)21-15-5-3-4-6-17(15)26-2/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyKRTLBUKLGGTMMD-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.26
Rot. Bonds5

About N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide

N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide (PubChem CID 50752351) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
PubChem CID50752351
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1ncc(-c2ccc(C)cc2)nc1=O
InChIInChI=1S/C19H18N4O3/c1-13-7-9-14(10-8-13)16-11-20-23(19(25)22-16)12-18(24)21-15-5-3-4-6-17(15)26-2/h3-11H,12H2,1-2H3,(H,21,24)
InChIKeyKRTLBUKLGGTMMD-UHFFFAOYSA-N
XLogP2.26
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethylphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 53048341
N-(2-fluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345662
2-[5-acetamido-3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 50812901
methyl 4-[[2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetyl]amino]benzoate
CID 51345629
N-(2,3-dimethylphenyl)-2-(3-oxo-5-phenyl-1,2,4-triazin-2-yl)acetamide
CID 53048265
2-(4-amino-6-oxopyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 103218386
N-(3,4-dimethylphenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345676
2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 51345679
N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide
CID 51345657
2-[5-(4-chlorophenyl)-3-oxo-1,2,4-triazin-2-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 50752404
N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide
CID 126171318
N-(2-methoxyphenyl)-2-(8-methyl-4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20867735

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide (CID 50752351) is N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide is COc1ccccc1NC(=O)Cn1ncc(-c2ccc(C)cc2)nc1=O.
What is the InChIKey of N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
The InChIKey is KRTLBUKLGGTMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-7-9-14(10-8-13)16-11-20-23(19(25)22-16)12-18(24)21-15-5-3-4-6-17(15)26-2/h3-11H,12H2,1-2H3,(H,21,24).
What are the key properties of N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide?
N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide has a molecular weight of 350.38 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[5-(4-methylphenyl)-3-oxo-1,2,4-triazin-2-yl]acetamide is sourced from PubChem (CID 50752351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).