2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide

C19H22N4O2 — CID 22514476

IUPAC2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCc1nn(CC(=O)NC(C)CCc2ccccc2)c(=O)c2cccn12
InChIInChI=1S/C19H22N4O2/c1-14(10-11-16-7-4-3-5-8-16)20-18(24)13-23-19(25)17-9-6-12-22(17)15(2)21-23/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,24)
InChIKeyJLMZVKQKDNKWEY-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.94
Rot. Bonds6

About 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide

2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide (PubChem CID 22514476) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
PubChem CID22514476
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
SMILESCc1nn(CC(=O)NC(C)CCc2ccccc2)c(=O)c2cccn12
InChIInChI=1S/C19H22N4O2/c1-14(10-11-16-7-4-3-5-8-16)20-18(24)13-23-19(25)17-9-6-12-22(17)15(2)21-23/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,24)
InChIKeyJLMZVKQKDNKWEY-UHFFFAOYSA-N
XLogP1.94
TPSA68.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[benzyl(propan-2-yl)amino]propyl]-2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514498
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95064731
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92505482
2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95074941
2-(5-methyl-3-oxo-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-2-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95099050
3-(7-oxo-2,8,10-triazatricyclo[7.4.0.02,6]trideca-1(9),3,5,10,12-pentaen-8-yl)-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 92687284
2-[2-(4-bromophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 53331074
2-[8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 95181867
2-(4-oxopyrido[2,3-d]pyrimidin-3-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 18147602
2-(7-anilino-3-oxo-[1,2,4]triazolo[4,3-a]pyrimidin-2-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 94683438
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(4-phenylbutan-2-yl)acetamide
CID 20875983
2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 53001038

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide (CID 22514476) is 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide is Cc1nn(CC(=O)NC(C)CCc2ccccc2)c(=O)c2cccn12.
What is the InChIKey of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide?
The InChIKey is JLMZVKQKDNKWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(10-11-16-7-4-3-5-8-16)20-18(24)13-23-19(25)17-9-6-12-22(17)15(2)21-23/h3-9,12,14H,10-11,13H2,1-2H3,(H,20,24).
What are the key properties of 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide?
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide has a molecular weight of 338.41 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide is sourced from PubChem (CID 22514476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).