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

C18H20N4O3 — CID 22514574

IUPACN-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide
SMILESCCOc1ccccc1CNC(=O)C(C)n1ncn2cccc2c1=O
InChIInChI=1S/C18H20N4O3/c1-3-25-16-9-5-4-7-14(16)11-19-17(23)13(2)22-18(24)15-8-6-10-21(15)12-20-22/h4-10,12-13H,3,11H2,1-2H3,(H,19,23)
InChIKeyNRBNTUHWLLKNDR-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.77
Rot. Bonds6

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

N-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide (PubChem CID 22514574) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide
PubChem CID22514574
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide
SMILESCCOc1ccccc1CNC(=O)C(C)n1ncn2cccc2c1=O
InChIInChI=1S/C18H20N4O3/c1-3-25-16-9-5-4-7-14(16)11-19-17(23)13(2)22-18(24)15-8-6-10-21(15)12-20-22/h4-10,12-13H,3,11H2,1-2H3,(H,19,23)
InChIKeyNRBNTUHWLLKNDR-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide (CID 22514574) is N-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide is CCOc1ccccc1CNC(=O)C(C)n1ncn2cccc2c1=O.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide?
The InChIKey is NRBNTUHWLLKNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-25-16-9-5-4-7-14(16)11-19-17(23)13(2)22-18(24)15-8-6-10-21(15)12-20-22/h4-10,12-13H,3,11H2,1-2H3,(H,19,23).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide?
N-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide has a molecular weight of 340.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)propanamide is sourced from PubChem (CID 22514574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).