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

C18H20N4O3 — CID 126458651

IUPAC2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-2-10-25-15-7-5-14(6-8-15)11-19-17(23)12-22-18(24)16-4-3-9-21(16)13-20-22/h3-9,13H,2,10-12H2,1H3,(H,19,23)
InChIKeyCVFXXXTWOYAOOW-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.60
Rot. Bonds7

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

2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]acetamide (PubChem CID 126458651) 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-propoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]acetamide
PubChem CID126458651
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-propoxyphenyl)methyl]acetamide
SMILESCCCOc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1
InChIInChI=1S/C18H20N4O3/c1-2-10-25-15-7-5-14(6-8-15)11-19-17(23)12-22-18(24)16-4-3-9-21(16)13-20-22/h3-9,13H,2,10-12H2,1H3,(H,19,23)
InChIKeyCVFXXXTWOYAOOW-UHFFFAOYSA-N
XLogP1.60
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]acetamide (CID 126458651) is 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]acetamide is CCCOc1ccc(CNC(=O)Cn2ncn3cccc3c2=O)cc1.
What is the InChIKey of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
The InChIKey is CVFXXXTWOYAOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-2-10-25-15-7-5-14(6-8-15)11-19-17(23)12-22-18(24)16-4-3-9-21(16)13-20-22/h3-9,13H,2,10-12H2,1H3,(H,19,23).
What are the key properties of 2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]acetamide?
2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-[(4-propoxyphenyl)methyl]acetamide has a molecular weight of 340.38 g/mol, XLogP of 1.60, 7 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-propoxyphenyl)methyl]acetamide is sourced from PubChem (CID 126458651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).