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

C24H17N5O2 — CID 177373840

IUPACN-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O
InChIInChI=1S/C24H17N5O2/c25-15-19-13-7-8-14-20(19)26-21(30)16-29-24(31)27-22(17-9-3-1-4-10-17)23(28-29)18-11-5-2-6-12-18/h1-14H,16H2,(H,26,30)
InChIKeyFMOPXBFESXXIBU-UHFFFAOYSA-N
MW407.43 g/mol
LogP3.48
Rot. Bonds5

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

N-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide (PubChem CID 177373840) has the molecular formula C24H17N5O2 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
PubChem CID177373840
Molecular FormulaC24H17N5O2
Molecular Weight407.43 g/mol
Exact Mass407.14
IUPAC NameN-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
SMILESN#Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O
InChIInChI=1S/C24H17N5O2/c25-15-19-13-7-8-14-20(19)26-21(30)16-29-24(31)27-22(17-9-3-1-4-10-17)23(28-29)18-11-5-2-6-12-18/h1-14H,16H2,(H,26,30)
InChIKeyFMOPXBFESXXIBU-UHFFFAOYSA-N
XLogP3.48
TPSA100.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
CID 104929
CID 104929
(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
(3S)-1-Methyl-3-[3-(3-methylphenyl)ureido]-5-phenyl-1H-1,4-benzodiazepin-2(3H)-one
CID 9887120
1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-p-tolyl-urea
CID 10408567
1-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-phenyl-urea
CID 10452597
(R)-1-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-m-tolylurea
CID 10475990
1-(3-Cyano-phenyl)-3-[1-(3,3-dimethyl-2-oxo-butyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-urea
CID 10815039
1-(3,3-Dimethyl-2-oxobutyl)-1,2-dihydro-N-[3-(methylamino)phenyl]-2-oxo-5-phenyl-3H-1,3,4-benzotriazepine-3-acetamide
CID 11663308
1-Benzyl-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-urea
CID 11741582

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide (CID 177373840) is N-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide is N#Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)c(-c2ccccc2)nc1=O.
What is the InChIKey of N-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
The InChIKey is FMOPXBFESXXIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O2/c25-15-19-13-7-8-14-20(19)26-21(30)16-29-24(31)27-22(17-9-3-1-4-10-17)23(28-29)18-11-5-2-6-12-18/h1-14H,16H2,(H,26,30).
What are the key properties of N-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide?
N-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide has a molecular weight of 407.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide is sourced from PubChem (CID 177373840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).