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

C18H15N5O3 — CID 39333164

IUPAC2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide
SMILESO=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)Nc1ccccc1
InChIInChI=1S/C18H15N5O3/c24-16(19-13-7-3-1-4-8-13)12-22-17(25)20-15-11-21(18(26)23(15)22)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,24)
InChIKeyUNOVHBUFLCZPFY-UHFFFAOYSA-N
MW349.35 g/mol
LogP1.67
Rot. Bonds4

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

2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide (PubChem CID 39333164) has the molecular formula C18H15N5O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide
PubChem CID39333164
Molecular FormulaC18H15N5O3
Molecular Weight349.35 g/mol
Exact Mass349.12
IUPAC Name2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide
SMILESO=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)Nc1ccccc1
InChIInChI=1S/C18H15N5O3/c24-16(19-13-7-3-1-4-8-13)12-22-17(25)20-15-11-21(18(26)23(15)22)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,24)
InChIKeyUNOVHBUFLCZPFY-UHFFFAOYSA-N
XLogP1.67
TPSA89.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide?
The IUPAC name of 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide (CID 39333164) is 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide?
The canonical SMILES for 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide is O=C(Cn1c(=O)nc2n1C(=O)N(c1ccccc1)C2)Nc1ccccc1.
What is the InChIKey of 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide?
The InChIKey is UNOVHBUFLCZPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3/c24-16(19-13-7-3-1-4-8-13)12-22-17(25)20-15-11-21(18(26)23(15)22)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,19,24).
What are the key properties of 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide?
2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide has a molecular weight of 349.35 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-6-phenyl-7H-imidazo[1,5-b][1,2,4]triazol-3-yl)-N-phenylacetamide is sourced from PubChem (CID 39333164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).