2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

C19H23N5O — CID 136952711

IUPAC2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCc1ncc2c(=O)[nH]c(C3CN(Cc4ccccc4)CC3C)nn12
InChIInChI=1S/C19H23N5O/c1-3-17-20-9-16-19(25)21-18(22-24(16)17)15-12-23(10-13(15)2)11-14-7-5-4-6-8-14/h4-9,13,15H,3,10-12H2,1-2H3,(H,21,22,25)
InChIKeyRWMDXAMILDYWHM-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.22
Rot. Bonds4

About 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one

2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (PubChem CID 136952711) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
PubChem CID136952711
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one
SMILESCCc1ncc2c(=O)[nH]c(C3CN(Cc4ccccc4)CC3C)nn12
InChIInChI=1S/C19H23N5O/c1-3-17-20-9-16-19(25)21-18(22-24(16)17)15-12-23(10-13(15)2)11-14-7-5-4-6-8-14/h4-9,13,15H,3,10-12H2,1-2H3,(H,21,22,25)
InChIKeyRWMDXAMILDYWHM-UHFFFAOYSA-N
XLogP2.22
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136621689
2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(1-ethylsulfonylpiperidin-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-piperidin-4-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;methane
CID 158432315
2-[1-[(4-chlorophenyl)methyl]-4-methylpyrrolidin-3-yl]-7-(4,4-difluorocyclohexyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136621736
7-(1-adamantyl)-2-(1-benzyl-4-methylpyrrolidin-3-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]adamantane-1-carboxamide;methane
CID 157426219
7-(1-acetylpiperidin-4-yl)-2-(1-benzyl-4-methylpyrrolidin-3-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;7-(1-acetylpiperidin-4-yl)-2-[4-methyl-1-(pyrimidin-2-ylmethyl)pyrrolidin-3-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;7-(1-acetylpiperidin-4-yl)-2-(4-methylpyrrolidin-3-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-(chloromethyl)pyrimidine;methanol
CID 158917800
2-[(4S)-1-[[4-(dimethylamino)phenyl]methyl]-4-methylpyrrolidin-3-yl]-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 136621747
6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-2-(trifluoromethyl)benzamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-[2-(trifluoromethyl)phenyl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-(trifluoromethyl)benzoic acid
CID 159883204
6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(5-chloro-2-methylphenyl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]-5-chloro-2-methylbenzamide;5-chloro-2-methylbenzoyl chloride;N,N-diethylethanamine;methane
CID 159744480
7-(1-hydroxypentan-3-yl)-2-[1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 137058054
1-benzyl-3-methyl-4-phenylpyrrolidine
CID 3522572
(4S)-1-benzyl-3-methyl-4-phenylpyrrolidine
CID 71104653
6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;N-[[3-(1-benzyl-4-methylpyrrolidin-3-yl)-5-oxo-4H-1,2,4-triazin-6-yl]methyl]oxane-4-carboxamide;(2,5-dioxopyrrolidin-1-yl) oxane-4-carboxylate;methane
CID 158329160

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The IUPAC name of 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one (CID 136952711) is 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The canonical SMILES for 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is CCc1ncc2c(=O)[nH]c(C3CN(Cc4ccccc4)CC3C)nn12.
What is the InChIKey of 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
The InChIKey is RWMDXAMILDYWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-17-20-9-16-19(25)21-18(22-24(16)17)15-12-23(10-13(15)2)11-14-7-5-4-6-8-14/h4-9,13,15H,3,10-12H2,1-2H3,(H,21,22,25).
What are the key properties of 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one?
2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one has a molecular weight of 337.43 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-ethyl-3H-imidazo[5,1-f][1,2,4]triazin-4-one is sourced from PubChem (CID 136952711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).