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

C17H18N4O3 — CID 22514398

IUPACN-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCCOc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1
InChIInChI=1S/C17H18N4O3/c1-2-24-14-7-5-13(6-8-14)10-18-16(22)11-21-17(23)15-4-3-9-20(15)12-19-21/h3-9,12H,2,10-11H2,1H3,(H,18,22)
InChIKeyUWVRXIIMZIPPFD-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.21
Rot. Bonds6

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

N-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514398) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514398
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCCOc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1
InChIInChI=1S/C17H18N4O3/c1-2-24-14-7-5-13(6-8-14)10-18-16(22)11-21-17(23)15-4-3-9-20(15)12-19-21/h3-9,12H,2,10-11H2,1H3,(H,18,22)
InChIKeyUWVRXIIMZIPPFD-UHFFFAOYSA-N
XLogP1.21
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514398) is N-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is CCOc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is UWVRXIIMZIPPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-2-24-14-7-5-13(6-8-14)10-18-16(22)11-21-17(23)15-4-3-9-20(15)12-19-21/h3-9,12H,2,10-11H2,1H3,(H,18,22).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 326.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).