N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide

C24H20N4O2 — CID 177373852

IUPACN-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O
InChIInChI=1S/C24H20N4O2/c1-17-10-8-9-15-20(17)25-21(29)16-28-24(30)26-22(18-11-4-2-5-12-18)23(27-28)19-13-6-3-7-14-19/h2-15H,16H2,1H3,(H,25,29)
InChIKeyIRSAAMPSUYITFF-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.92
Rot. Bonds5

About N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide

N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide (PubChem CID 177373852) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
PubChem CID177373852
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O
InChIInChI=1S/C24H20N4O2/c1-17-10-8-9-15-20(17)25-21(29)16-28-24(30)26-22(18-11-4-2-5-12-18)23(27-28)19-13-6-3-7-14-19/h2-15H,16H2,1H3,(H,25,29)
InChIKeyIRSAAMPSUYITFF-UHFFFAOYSA-N
XLogP3.92
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

L 365260
CID 5311201
1-(2-fluorophenyl)-3-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]urea
CID 5279172
1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolyl-urea
CID 9953071
CID 104929
CID 104929
1-[(R)-1-(3,3-Dimethyl-2-oxo-butyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea
CID 10322988
(E)-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-phenylprop-2-enamide
CID 14208286
RSV604 racemate
CID 5279171
[125I]-Bdz2
CID 44572147
1-(3-(125I)iodophenyl)-3-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
CID 44572148
(3S)-1-Methyl-3-[3-(3-methylphenyl)ureido]-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one
CID 9887120
1-(3-Fluoro-phenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
CID 10046672
1-(3-iodophenyl)-3-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]urea
CID 10075052

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The IUPAC name of N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide (CID 177373852) is N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide is Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O.
What is the InChIKey of N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The InChIKey is IRSAAMPSUYITFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-17-10-8-9-15-20(17)25-21(29)16-28-24(30)26-22(18-11-4-2-5-12-18)23(27-28)19-13-6-3-7-14-19/h2-15H,16H2,1H3,(H,25,29).
What are the key properties of N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide is sourced from PubChem (CID 177373852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).