N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide

C19H23N5O3 — CID 170368197

IUPACN-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(N=O)C2)c(=O)nc1-c1ccccc1
InChIInChI=1S/C19H23N5O3/c1-12(2)16-17(13-7-5-4-6-8-13)21-18(26)24(22-16)11-15(25)20-14-9-19(3,10-14)23-27/h4-8,12,14H,9-11H2,1-3H3,(H,20,25)
InChIKeyQMIUMTPAPOWNQR-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.23
Rot. Bonds6

About N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide

N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide (PubChem CID 170368197) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide
PubChem CID170368197
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC NameN-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide
SMILESCC(C)c1nn(CC(=O)NC2CC(C)(N=O)C2)c(=O)nc1-c1ccccc1
InChIInChI=1S/C19H23N5O3/c1-12(2)16-17(13-7-5-4-6-8-13)21-18(26)24(22-16)11-15(25)20-14-9-19(3,10-14)23-27/h4-8,12,14H,9-11H2,1-3H3,(H,20,25)
InChIKeyQMIUMTPAPOWNQR-UHFFFAOYSA-N
XLogP2.23
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-hydroxy-3-methylcyclobutyl)-2-(6-oxo-4-phenyl-3-propan-2-ylpyridazin-1-yl)acetamide
CID 162432189
2-[4-(3-chlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318856
N-(2,2-dimethyloxan-4-yl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 52995964
2-(6-bromo-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(3-methoxy-3-methylcyclobutyl)acetamide
CID 166874409
2-[4-(2,5-dichlorophenyl)-6-oxo-3-propan-2-ylpyridazin-1-yl]-N-(3-hydroxy-3-methylcyclobutyl)acetamide
CID 169318868
N-(4-hydroxyphenyl)-2-(3-oxo-5,6-diphenyl-1,2,4-triazin-2-yl)acetamide
CID 177373845
N-(4-methylcyclohexyl)-2-(3-phenylindazol-1-yl)acetamide
CID 20877585
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
N-[3-hydroxy-3-(trifluoromethyl)cyclobutyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364313
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
CID 7290171
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(3-methyl-5-phenyl-1,2,4-triazol-1-yl)acetamide
CID 95153079
N-[(3S)-1-cyclopropylpiperidin-3-yl]-2-[6-oxo-4-(3-phosphanylphenyl)-3-propan-2-ylpyridazin-1-yl]acetamide
CID 170368578

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide?
The IUPAC name of N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide (CID 170368197) is N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide.
What is the SMILES notation for N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide?
The canonical SMILES for N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide is CC(C)c1nn(CC(=O)NC2CC(C)(N=O)C2)c(=O)nc1-c1ccccc1.
What is the InChIKey of N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide?
The InChIKey is QMIUMTPAPOWNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12(2)16-17(13-7-5-4-6-8-13)21-18(26)24(22-16)11-15(25)20-14-9-19(3,10-14)23-27/h4-8,12,14H,9-11H2,1-3H3,(H,20,25).
What are the key properties of N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide?
N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide has a molecular weight of 369.43 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-3-nitrosocyclobutyl)-2-(3-oxo-5-phenyl-6-propan-2-yl-1,2,4-triazin-2-yl)acetamide is sourced from PubChem (CID 170368197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).