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

C17H18N4O2 — CID 22514435

IUPACN-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1nc(C)n2cccc2c1=O
InChIInChI=1S/C17H18N4O2/c1-3-13-7-4-5-8-14(13)18-16(22)11-21-17(23)15-9-6-10-20(15)12(2)19-21/h4-10H,3,11H2,1-2H3,(H,18,22)
InChIKeyIKZGLAKGGHLJDI-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.01
Rot. Bonds4

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

N-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (PubChem CID 22514435) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
PubChem CID22514435
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1nc(C)n2cccc2c1=O
InChIInChI=1S/C17H18N4O2/c1-3-13-7-4-5-8-14(13)18-16(22)11-21-17(23)15-9-6-10-20(15)12(2)19-21/h4-10H,3,11H2,1-2H3,(H,18,22)
InChIKeyIKZGLAKGGHLJDI-UHFFFAOYSA-N
XLogP2.01
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide (CID 22514435) is N-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is CCc1ccccc1NC(=O)Cn1nc(C)n2cccc2c1=O.
What is the InChIKey of N-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
The InChIKey is IKZGLAKGGHLJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-3-13-7-4-5-8-14(13)18-16(22)11-21-17(23)15-9-6-10-20(15)12(2)19-21/h4-10H,3,11H2,1-2H3,(H,18,22).
What are the key properties of N-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide?
N-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide has a molecular weight of 310.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide is sourced from PubChem (CID 22514435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).