2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide

C19H22N6O2 — CID 156890271

IUPAC2-(7-cyclobutyl-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)c2cc(C3CCC3)cn12
InChIInChI=1S/C19H22N6O2/c1-12(2)18-23-25(10-17(26)22-16-6-7-20-11-21-16)19(27)15-8-14(9-24(15)18)13-4-3-5-13/h6-9,11-13H,3-5,10H2,1-2H3,(H,20,21,22,26)
InChIKeyDBTKEMFCKBQUSK-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.32
Rot. Bonds5

About 2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide

2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide (PubChem CID 156890271) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide.

Molecular Properties

Compound Name2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide
PubChem CID156890271
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-(7-cyclobutyl-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)c2cc(C3CCC3)cn12
InChIInChI=1S/C19H22N6O2/c1-12(2)18-23-25(10-17(26)22-16-6-7-20-11-21-16)19(27)15-8-14(9-24(15)18)13-4-3-5-13/h6-9,11-13H,3-5,10H2,1-2H3,(H,20,21,22,26)
InChIKeyDBTKEMFCKBQUSK-UHFFFAOYSA-N
XLogP2.32
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-oxo-7-phenyl-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide
CID 156890193
2-[7-(1-methoxyethyl)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 156890076
2-[7-(3-fluoropropoxy)-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 175392787
2-(2-amino-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-pyrimidin-4-ylacetamide
CID 166518369
2-[2-(methylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide
CID 166518344
2-[4-(methylamino)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 156890306
2-[2-(dimethylamino)-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-pyrimidin-4-ylacetamide
CID 166803168
2-(9-oxo-12-propan-2-yl-3-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),4,7,11-tetraen-10-yl)-N-pyrimidin-4-ylacetamide
CID 172635157
2-[4-(2-methoxyethyl)-1-oxo-7-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 156890100
2-[4-(1-hydroxyethyl)-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl]-N-pyrimidin-4-ylacetamide
CID 166522289
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-(2-methyl-4-pyridinyl)acetamide
CID 166803414
2-(2-cyclopropyl-4-oxo-7-propan-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[6-(trifluoromethyl)pyrimidin-4-yl]acetamide
CID 166803404

Frequently Asked Questions

What is the IUPAC name of 2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide?
The IUPAC name of 2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide (CID 156890271) is 2-(7-cyclobutyl-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-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide?
The canonical SMILES for 2-(7-cyclobutyl-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)c2cc(C3CCC3)cn12.
What is the InChIKey of 2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide?
The InChIKey is DBTKEMFCKBQUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-12(2)18-23-25(10-17(26)22-16-6-7-20-11-21-16)19(27)15-8-14(9-24(15)18)13-4-3-5-13/h6-9,11-13H,3-5,10H2,1-2H3,(H,20,21,22,26).
What are the key properties of 2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide?
2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide has a molecular weight of 366.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyclobutyl-1-oxo-4-propan-2-ylpyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-pyrimidin-4-ylacetamide is sourced from PubChem (CID 156890271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).