2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide

C15H16N6O2 — CID 156890105

IUPAC2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2cccn12
InChIInChI=1S/C15H16N6O2/c1-10(2)14-19-21(15(23)11-4-3-7-20(11)14)8-13(22)18-12-5-6-16-9-17-12/h3-7,9-10H,8H2,1-2H3,(H,16,17,18,22)
InChIKeyRXVYOMRLNIJOIU-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.05
Rot. Bonds4

About 2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide

2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide (PubChem CID 156890105) has the molecular formula C15H16N6O2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide.

Molecular Properties

Compound Name2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide
PubChem CID156890105
Molecular FormulaC15H16N6O2
Molecular Weight312.33 g/mol
Exact Mass312.13
IUPAC Name2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide
SMILESCC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2cccn12
InChIInChI=1S/C15H16N6O2/c1-10(2)14-19-21(15(23)11-4-3-7-20(11)14)8-13(22)18-12-5-6-16-9-17-12/h3-7,9-10H,8H2,1-2H3,(H,16,17,18,22)
InChIKeyRXVYOMRLNIJOIU-UHFFFAOYSA-N
XLogP1.05
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide?
The IUPAC name of 2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide (CID 156890105) is 2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide.
What is the SMILES notation for 2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide?
The canonical SMILES for 2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide is CC(C)c1nn(CC(=O)Nc2ccncn2)c(=O)c2cccn12.
What is the InChIKey of 2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide?
The InChIKey is RXVYOMRLNIJOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2/c1-10(2)14-19-21(15(23)11-4-3-7-20(11)14)8-13(22)18-12-5-6-16-9-17-12/h3-7,9-10H,8H2,1-2H3,(H,16,17,18,22).
What are the key properties of 2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide?
2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide has a molecular weight of 312.33 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide is sourced from PubChem (CID 156890105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).