2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

C18H20N4O3 — CID 22514395

IUPAC2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-13(2)25-15-7-5-14(6-8-15)10-19-17(23)11-22-18(24)16-4-3-9-21(16)12-20-22/h3-9,12-13H,10-11H2,1-2H3,(H,19,23)
InChIKeyFQQLQKHSPGDMJJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.60
Rot. Bonds6

About 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide

2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (PubChem CID 22514395) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
PubChem CID22514395
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
SMILESCC(C)Oc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-13(2)25-15-7-5-14(6-8-15)10-19-17(23)11-22-18(24)16-4-3-9-21(16)12-20-22/h3-9,12-13H,10-11H2,1-2H3,(H,19,23)
InChIKeyFQQLQKHSPGDMJJ-UHFFFAOYSA-N
XLogP1.60
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide (CID 22514395) is 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is CC(C)Oc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1.
What is the InChIKey of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
The InChIKey is FQQLQKHSPGDMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13(2)25-15-7-5-14(6-8-15)10-19-17(23)11-22-18(24)16-4-3-9-21(16)12-20-22/h3-9,12-13H,10-11H2,1-2H3,(H,19,23).
What are the key properties of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide?
2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide is sourced from PubChem (CID 22514395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).