6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid

C70H82N18O6 — CID 158170482

IUPAC6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid
SMILESC.CC1CN(Cc2ccccc2)CC1c1nnc(CN)c(=O)[nH]1.Cc1ccncc1-c1ncc2c(=O)[nH]c(C3CN(Cc4ccccc4)CC3C)nn12.Cc1ccncc1C(=O)NCc1nnc(C2CN(Cc3ccccc3)CC2C)[nH]c1=O.Cc1ccncc1C(=O)O
InChIInChI=1S/C23H26N6O2.C23H24N6O.C16H21N5O.C7H7NO2.CH4/c1-15-8-9-24-10-18(15)22(30)25-11-20-23(31)26-21(28-27-20)19-14-29(12-16(19)2)13-17-6-4-3-5-7-17;1-15-8-9-24-10-18(15)22-25-11-20-23(30)26-21(27-29(20)22)19-14-28(12-16(19)2)13-17-6-4-3-5-7-17;1-11-8-21(9-12-5-3-2-4-6-12)10-13(11)15-18-16(22)14(7-17)19-20-15;1-5-2-3-8-4-6(5)7(9)10;/h3-10,16,19H,11-14H2,1-2H3,(H,25,30)(H,26,28,31);3-11,16,19H,12-14H2,1-2H3,(H,26,27,30);2-6,11,13H,7-10,17H2,1H3,(H,18,20,22);2-4H,1H3,(H,9,10);1H4
InChIKeyFXJRLHGBXKJLNQ-UHFFFAOYSA-N
MW1271.55 g/mol
LogP7.64
Rot. Bonds15

About 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid

6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid (PubChem CID 158170482) has the molecular formula C70H82N18O6 and a molecular weight of 1271.55 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid
PubChem CID158170482
Molecular FormulaC70H82N18O6
Molecular Weight1271.55 g/mol
Exact Mass1270.67
IUPAC Name6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid
SMILESC.CC1CN(Cc2ccccc2)CC1c1nnc(CN)c(=O)[nH]1.Cc1ccncc1-c1ncc2c(=O)[nH]c(C3CN(Cc4ccccc4)CC3C)nn12.Cc1ccncc1C(=O)NCc1nnc(C2CN(Cc3ccccc3)CC2C)[nH]c1=O.Cc1ccncc1C(=O)O
InChIInChI=1S/C23H26N6O2.C23H24N6O.C16H21N5O.C7H7NO2.CH4/c1-15-8-9-24-10-18(15)22(30)25-11-20-23(31)26-21(28-27-20)19-14-29(12-16(19)2)13-17-6-4-3-5-7-17;1-15-8-9-24-10-18(15)22-25-11-20-23(30)26-21(27-29(20)22)19-14-28(12-16(19)2)13-17-6-4-3-5-7-17;1-11-8-21(9-12-5-3-2-4-6-12)10-13(11)15-18-16(22)14(7-17)19-20-15;1-5-2-3-8-4-6(5)7(9)10;/h3-10,16,19H,11-14H2,1-2H3,(H,25,30)(H,26,28,31);3-11,16,19H,12-14H2,1-2H3,(H,26,27,30);2-6,11,13H,7-10,17H2,1H3,(H,18,20,22);2-4H,1H3,(H,9,10);1H4
InChIKeyFXJRLHGBXKJLNQ-UHFFFAOYSA-N
XLogP7.64
TPSA321.14 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001271.55
LogP ≤ 57.64
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid with MolForge

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Related Compounds

4-[2-(3-But-2-ynyl-4-oxo-2-piperazin-1-ylimidazo[4,5-d]pyridazin-5-yl)ethyl]benzoic acid;3-but-2-ynyl-2-piperazin-1-yl-5-(pyridin-2-ylmethyl)imidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-2-piperazin-1-yl-5-(pyridin-3-ylmethyl)imidazo[4,5-d]pyridazin-4-one;3-but-2-ynyl-2-piperazin-1-yl-5-(pyridin-4-ylmethyl)imidazo[4,5-d]pyridazin-4-one;methane;tetrakis(2,2,2-trifluoroacetic acid)
CID 158096600
6-methylpyridine-3-carbaldehyde;2-(4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 159083791
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
methane;6-methylpyridine-3-carbaldehyde;2-(4-methylpyrrolidin-3-yl)-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-[4-methyl-1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidin-3-yl]-7-(oxan-4-yl)-3H-imidazo[5,1-f][1,2,4]triazin-4-one
CID 161437085
3-[4-[4-[7-(Methylcarbamoyl)-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-4-ium-1-yl]-2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1-[4-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-c]pyrimidine-3-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-4-ium-6-carboxylic acid
CID 176574189
3-[(E)-4-[6-carboxy-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridin-3-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]imidazo[4,5-b]pyridine-6-carboxylic acid
CID 146298772
7-Amino-4-[5-[4-[4-[2-(7-amino-11-carbamoyl-12-methyl-4-pyridin-2-yl-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-10-yl)ethyl]piperazin-1-yl]pyridin-1-ium-1-yl]-2-pyridinyl]-12-methyl-10-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene-11-carboxylic acid
CID 155579798
5-[4-(Benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-carboxylic acid;bis(methyl 1-[5-[4-(benzylamino)-5-phenylpyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-carbonyl]pyrrolidine-2-carboxylate);methyl cyclopentanecarboxylate
CID 157181071
6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(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]-2-methylbenzamide;2-methylbenzoic acid
CID 157199298
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-ethylbutanamide;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-pentan-3-yl-3H-imidazo[5,1-f][1,2,4]triazin-4-one;2-ethylbutanoic acid
CID 157359838
cis-(1R,2S)-2-[[3-(2-methylpropyl)piperidin-1-yl]methyl]cyclohexan-1-amine;6-imidazol-1-yl-N-[(1R,2S)-2-[[3-(2-methylpropyl)piperidin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide;6-imidazol-1-ylpyridine-3-carboxylic acid;hydrochloride
CID 157459181
Potassium;5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-carbonitrile;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyridine-3-carboxylic acid);hydroxide
CID 157719018

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid?
The IUPAC name of 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid (CID 158170482) is 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid is C.CC1CN(Cc2ccccc2)CC1c1nnc(CN)c(=O)[nH]1.Cc1ccncc1-c1ncc2c(=O)[nH]c(C3CN(Cc4ccccc4)CC3C)nn12.Cc1ccncc1C(=O)NCc1nnc(C2CN(Cc3ccccc3)CC2C)[nH]c1=O.Cc1ccncc1C(=O)O.
What is the InChIKey of 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid?
The InChIKey is FXJRLHGBXKJLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2.C23H24N6O.C16H21N5O.C7H7NO2.CH4/c1-15-8-9-24-10-18(15)22(30)25-11-20-23(31)26-21(28-27-20)19-14-29(12-16(19)2)13-17-6-4-3-5-7-17;1-15-8-9-24-10-18(15)22-25-11-20-23(30)26-21(27-29(20)22)19-14-28(12-16(19)2)13-17-6-4-3-5-7-17;1-11-8-21(9-12-5-3-2-4-6-12)10-13(11)15-18-16(22)14(7-17)19-20-15;1-5-2-3-8-4-6(5)7(9)10;/h3-10,16,19H,11-14H2,1-2H3,(H,25,30)(H,26,28,31);3-11,16,19H,12-14H2,1-2H3,(H,26,27,30);2-6,11,13H,7-10,17H2,1H3,(H,18,20,22);2-4H,1H3,(H,9,10);1H4.
What are the key properties of 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid?
6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid has a molecular weight of 1271.55 g/mol, XLogP of 7.64, 15 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-(1-benzyl-4-methylpyrrolidin-3-yl)-4H-1,2,4-triazin-5-one;2-(1-benzyl-4-methylpyrrolidin-3-yl)-7-(4-methyl-3-pyridinyl)-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]-4-methylpyridine-3-carboxamide;methane;4-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 158170482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).