N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide

C19H14N6O3 — CID 45493077

IUPACN-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2c(=O)nc3n2C(=O)N(c2ccccc2)C3)cc1
InChIInChI=1S/C19H14N6O3/c20-10-13-6-8-14(9-7-13)21-17(26)12-24-18(27)22-16-11-23(19(28)25(16)24)15-4-2-1-3-5-15/h1-9H,11-12H2,(H,21,26)
InChIKeyXVNQZNUPOSOKRE-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.54
Rot. Bonds4

About N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide

N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide (PubChem CID 45493077) has the molecular formula C19H14N6O3 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
PubChem CID45493077
Molecular FormulaC19H14N6O3
Molecular Weight374.36 g/mol
Exact Mass374.11
IUPAC NameN-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide
SMILESN#Cc1ccc(NC(=O)Cn2c(=O)nc3n2C(=O)N(c2ccccc2)C3)cc1
InChIInChI=1S/C19H14N6O3/c20-10-13-6-8-14(9-7-13)21-17(26)12-24-18(27)22-16-11-23(19(28)25(16)24)15-4-2-1-3-5-15/h1-9H,11-12H2,(H,21,26)
InChIKeyXVNQZNUPOSOKRE-UHFFFAOYSA-N
XLogP1.54
TPSA113.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 45493134
4-[[6-(3-methoxyphenyl)-2,5-dioxo-7H-imidazo[1,5-b][1,2,4]triazol-3-yl]methyl]benzonitrile
CID 52900785
3-[(2-methylphenyl)methyl]-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazole-2,5-dione
CID 39309324
2-(4-cyanophenyl)-N-phenylacetamide
CID 12672919
N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 5036756
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
2-(4-benzoylpiperazin-1-yl)-N-(4-cyanophenyl)acetamide
CID 9223598
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052176
N-(4-cyanophenyl)-2-[6-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-4,5-dihydropyridazin-1-yl]acetamide
CID 53490859
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide (CID 45493077) is N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide is N#Cc1ccc(NC(=O)Cn2c(=O)nc3n2C(=O)N(c2ccccc2)C3)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide?
The InChIKey is XVNQZNUPOSOKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3/c20-10-13-6-8-14(9-7-13)21-17(26)12-24-18(27)22-16-11-23(19(28)25(16)24)15-4-2-1-3-5-15/h1-9H,11-12H2,(H,21,26).
What are the key properties of N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide?
N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide has a molecular weight of 374.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)acetamide is sourced from PubChem (CID 45493077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).