2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide

C17H18N4O2 — CID 169098815

IUPAC2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1ccccc1
InChIInChI=1S/C17H18N4O2/c1-2-15(13-7-4-3-5-8-13)19-16(22)12-21-17(23)20-10-6-9-14(20)11-18-21/h3-11,15H,2,12H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyVNPUJFHXBRABGV-HNNXBMFYSA-N
MW310.36 g/mol
LogP1.76
Rot. Bonds5

About 2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide

2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide (PubChem CID 169098815) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide
PubChem CID169098815
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1ccccc1
InChIInChI=1S/C17H18N4O2/c1-2-15(13-7-4-3-5-8-13)19-16(22)12-21-17(23)20-10-6-9-14(20)11-18-21/h3-11,15H,2,12H2,1H3,(H,19,22)/t15-/m0/s1
InChIKeyVNPUJFHXBRABGV-HNNXBMFYSA-N
XLogP1.76
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide?
The IUPAC name of 2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide (CID 169098815) is 2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide?
The canonical SMILES for 2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide is CC[C@H](NC(=O)Cn1ncc2cccn2c1=O)c1ccccc1.
What is the InChIKey of 2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide?
The InChIKey is VNPUJFHXBRABGV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-15(13-7-4-3-5-8-13)19-16(22)12-21-17(23)20-10-6-9-14(20)11-18-21/h3-11,15H,2,12H2,1H3,(H,19,22)/t15-/m0/s1.
What are the key properties of 2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide?
2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide has a molecular weight of 310.36 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide is sourced from PubChem (CID 169098815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).