2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide

C18H20N4O2 — CID 169098810

IUPAC2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)Cn1ncc2ccc(C)n2c1=O)c1ccccc1
InChIInChI=1S/C18H20N4O2/c1-3-16(14-7-5-4-6-8-14)20-17(23)12-21-18(24)22-13(2)9-10-15(22)11-19-21/h4-11,16H,3,12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyVELASXRBONIGRR-INIZCTEOSA-N
MW324.38 g/mol
LogP2.07
Rot. Bonds5

About 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide

2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide (PubChem CID 169098810) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide
PubChem CID169098810
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide
SMILESCC[C@H](NC(=O)Cn1ncc2ccc(C)n2c1=O)c1ccccc1
InChIInChI=1S/C18H20N4O2/c1-3-16(14-7-5-4-6-8-14)20-17(23)12-21-18(24)22-13(2)9-10-15(22)11-19-21/h4-11,16H,3,12H2,1-2H3,(H,20,23)/t16-/m0/s1
InChIKeyVELASXRBONIGRR-INIZCTEOSA-N
XLogP2.07
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide?
The IUPAC name of 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide (CID 169098810) is 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide.
What is the SMILES notation for 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide?
The canonical SMILES for 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide is CC[C@H](NC(=O)Cn1ncc2ccc(C)n2c1=O)c1ccccc1.
What is the InChIKey of 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide?
The InChIKey is VELASXRBONIGRR-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-3-16(14-7-5-4-6-8-14)20-17(23)12-21-18(24)22-13(2)9-10-15(22)11-19-21/h4-11,16H,3,12H2,1-2H3,(H,20,23)/t16-/m0/s1.
What are the key properties of 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide?
2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide has a molecular weight of 324.38 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-4-oxopyrrolo[1,2-d][1,2,4]triazin-3-yl)-N-[(1S)-1-phenylpropyl]acetamide is sourced from PubChem (CID 169098810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).