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

C16H16N4O3 — CID 22514370

IUPACN-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cn1ncn2cccc2c1=O
InChIInChI=1S/C16H16N4O3/c1-23-14-7-3-2-5-12(14)9-17-15(21)10-20-16(22)13-6-4-8-19(13)11-18-20/h2-8,11H,9-10H2,1H3,(H,17,21)
InChIKeyKXLCRUBDOQRICE-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.82
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514370) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514370
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCOc1ccccc1CNC(=O)Cn1ncn2cccc2c1=O
InChIInChI=1S/C16H16N4O3/c1-23-14-7-3-2-5-12(14)9-17-15(21)10-20-16(22)13-6-4-8-19(13)11-18-20/h2-8,11H,9-10H2,1H3,(H,17,21)
InChIKeyKXLCRUBDOQRICE-UHFFFAOYSA-N
XLogP0.82
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)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 N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514370) is N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is COc1ccccc1CNC(=O)Cn1ncn2cccc2c1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is KXLCRUBDOQRICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-23-14-7-3-2-5-12(14)9-17-15(21)10-20-16(22)13-6-4-8-19(13)11-18-20/h2-8,11H,9-10H2,1H3,(H,17,21).
What are the key properties of N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 312.33 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).