N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C17H22F3N5O3 — CID 166803277

IUPACN-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)c2cc(CC(F)(F)F)nn12
InChIInChI=1S/C17H22F3N5O3/c1-9(2)14-23-24(8-13(26)21-11-5-16(3,28)6-11)15(27)12-4-10(22-25(12)14)7-17(18,19)20/h4,9,11,28H,5-8H2,1-3H3,(H,21,26)
InChIKeyNOGLTJALBLGXTN-UHFFFAOYSA-N
MW401.39 g/mol
LogP1.15
Rot. Bonds5

About N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 166803277) has the molecular formula C17H22F3N5O3 and a molecular weight of 401.39 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID166803277
Molecular FormulaC17H22F3N5O3
Molecular Weight401.39 g/mol
Exact Mass401.17
IUPAC NameN-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)c2cc(CC(F)(F)F)nn12
InChIInChI=1S/C17H22F3N5O3/c1-9(2)14-23-24(8-13(26)21-11-5-16(3,28)6-11)15(27)12-4-10(22-25(12)14)7-17(18,19)20/h4,9,11,28H,5-8H2,1-3H3,(H,21,26)
InChIKeyNOGLTJALBLGXTN-UHFFFAOYSA-N
XLogP1.15
TPSA101.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 166803277) is N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is CC(C)c1nn(CC(=O)NC2CC(C)(O)C2)c(=O)c2cc(CC(F)(F)F)nn12.
What is the InChIKey of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is NOGLTJALBLGXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N5O3/c1-9(2)14-23-24(8-13(26)21-11-5-16(3,28)6-11)15(27)12-4-10(22-25(12)14)7-17(18,19)20/h4,9,11,28H,5-8H2,1-3H3,(H,21,26).
What are the key properties of N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 401.39 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-methylcyclobutyl)-2-[4-oxo-7-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 166803277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).