N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide

C121H152F6N34O9 — CID 158491920

IUPACN-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide
SMILESCNc1nc(C)nc2c(C(=O)NC(C3CCC3)C(F)(F)F)ccn12.Cc1nc(-c2ccccc2)nc2c(C(=O)NC(C)C3CC3)ccn12.Cc1nc(-c2ccccn2)nc2c(C(=O)NC(C)C3CC3)ccn12.Cc1nc(N(C)C)nc2c(C(=O)N[C@@H](C)C3CCC3)ccn12.Cc1nc(N(C)C)nc2c(C(=O)N[C@H](C)C3CCC3)ccn12.Cc1nc(N2CCOCC2)nc2c(C(=O)NC(C)(C)C3CCC3)ccn12.Cc1nc(N2CCOCC2)nc2c(C(=O)NC(C3CCC3)C(F)(F)F)ccn12
InChIInChI=1S/C19H27N5O2.C19H20N4O.C18H22F3N5O2.C18H19N5O.2C16H23N5O.C15H18F3N5O/c1-13-20-18(23-9-11-26-12-10-23)21-16-15(7-8-24(13)16)17(25)22-19(2,3)14-5-4-6-14;1-12(14-8-9-14)20-19(24)16-10-11-23-13(2)21-17(22-18(16)23)15-6-4-3-5-7-15;1-11-22-17(25-7-9-28-10-8-25)24-15-13(5-6-26(11)15)16(27)23-14(18(19,20)21)12-3-2-4-12;1-11(13-6-7-13)20-18(24)14-8-10-23-12(2)21-16(22-17(14)23)15-5-3-4-9-19-15;2*1-10(12-6-5-7-12)17-15(22)13-8-9-21-11(2)18-16(20(3)4)19-14(13)21;1-8-20-12-10(6-7-23(12)14(19-2)21-8)13(24)22-11(15(16,17)18)9-4-3-5-9/h7-8,14H,4-6,9-12H2,1-3H3,(H,22,25);3-7,10-12,14H,8-9H2,1-2H3,(H,20,24);5-6,12,14H,2-4,7-10H2,1H3,(H,23,27);3-5,8-11,13H,6-7H2,1-2H3,(H,20,24);2*8-10,12H,5-7H2,1-4H3,(H,17,22);6-7,9,11H,3-5H2,1-2H3,(H,22,24)(H,19,20,21)/t;;;;2*10-;/m....10./s1
InChIKeyHIULYEPRGKWKCW-OSQBKTQHSA-N
MW2340.76 g/mol
LogP16.96
Rot. Bonds28

About N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide

N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide (PubChem CID 158491920) has the molecular formula C121H152F6N34O9 and a molecular weight of 2340.76 g/mol. Its IUPAC name is N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide
PubChem CID158491920
Molecular FormulaC121H152F6N34O9
Molecular Weight2340.76 g/mol
Exact Mass2339.24
IUPAC NameN-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide
SMILESCNc1nc(C)nc2c(C(=O)NC(C3CCC3)C(F)(F)F)ccn12.Cc1nc(-c2ccccc2)nc2c(C(=O)NC(C)C3CC3)ccn12.Cc1nc(-c2ccccn2)nc2c(C(=O)NC(C)C3CC3)ccn12.Cc1nc(N(C)C)nc2c(C(=O)N[C@@H](C)C3CCC3)ccn12.Cc1nc(N(C)C)nc2c(C(=O)N[C@H](C)C3CCC3)ccn12.Cc1nc(N2CCOCC2)nc2c(C(=O)NC(C)(C)C3CCC3)ccn12.Cc1nc(N2CCOCC2)nc2c(C(=O)NC(C3CCC3)C(F)(F)F)ccn12
InChIInChI=1S/C19H27N5O2.C19H20N4O.C18H22F3N5O2.C18H19N5O.2C16H23N5O.C15H18F3N5O/c1-13-20-18(23-9-11-26-12-10-23)21-16-15(7-8-24(13)16)17(25)22-19(2,3)14-5-4-6-14;1-12(14-8-9-14)20-19(24)16-10-11-23-13(2)21-17(22-18(16)23)15-6-4-3-5-7-15;1-11-22-17(25-7-9-28-10-8-25)24-15-13(5-6-26(11)15)16(27)23-14(18(19,20)21)12-3-2-4-12;1-11(13-6-7-13)20-18(24)14-8-10-23-12(2)21-16(22-17(14)23)15-5-3-4-9-19-15;2*1-10(12-6-5-7-12)17-15(22)13-8-9-21-11(2)18-16(20(3)4)19-14(13)21;1-8-20-12-10(6-7-23(12)14(19-2)21-8)13(24)22-11(15(16,17)18)9-4-3-5-9/h7-8,14H,4-6,9-12H2,1-3H3,(H,22,25);3-7,10-12,14H,8-9H2,1-2H3,(H,20,24);5-6,12,14H,2-4,7-10H2,1H3,(H,23,27);3-5,8-11,13H,6-7H2,1-2H3,(H,20,24);2*8-10,12H,5-7H2,1-4H3,(H,17,22);6-7,9,11H,3-5H2,1-2H3,(H,22,24)(H,19,20,21)/t;;;;2*10-;/m....10./s1
InChIKeyHIULYEPRGKWKCW-OSQBKTQHSA-N
XLogP16.96
TPSA471.37 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds28
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002340.76
LogP ≤ 516.96
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide with MolForge

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Related Compounds

[2-[6-[(3aS,7aR)-6-[2-[4-ethenyl-5-(methylideneamino)-1-(2,2,2-trifluoroethyl)pyrrol-2-yl]-3-methylimidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 129235992
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[5-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129236564
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R,4R)-4-(2-aminoethyl)-3-methylpiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330064
1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 145330077
[2-[5-[(3aS,7aR)-6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]-(1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl)methanone
CID 155131871
[(3R)-3-aminopiperidin-1-yl]-[2-[5-[[(3R)-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-(2,2-difluoroethyl)imidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2-difluoropropyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155131890
[(3aS,7aS)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[5-[[(3R)-1-[2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-ethylimidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155131917
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[6-[6-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridine-6-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 155132028
[(3R)-3-[[2-[6-[(3S,5S)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylimidazo[4,5-b]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-5-yl]amino]piperidin-1-yl]-[2-[1-(cyclopropylmethyl)-5,6-difluoropyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155132049
[(3aR,7aR)-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-6-yl]-[2-[5-[[(3R)-1-[3-ethyl-2-(1-ethylpyrrolo[2,3-b]pyridin-2-yl)imidazo[4,5-b]pyridine-6-carbonyl]piperidin-3-yl]amino]-1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]-3-methylimidazo[4,5-b]pyridin-6-yl]methanone
CID 155132059
N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-6-fluoro-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-(2-piperidin-1-ylethyl)-6-(trifluoromethyl)pyridine-3-carboxamide;N-[5-(1-cyclopropyl-2,6-dioxo-3-propyl-7H-purin-8-yl)-2-pyridinyl]-N-prop-2-enyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 157298021
N-[(1S)-1-cyclopropylethyl]-2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-2-(4,4-difluoropiperidin-1-yl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-2-(4-fluorophenyl)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-(8-oxabicyclo[3.2.1]octan-3-ylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyridin-3-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-2-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;N-(2-cyclopropylpropan-2-yl)-4-methyl-2-pyrimidin-5-ylpyrrolo[1,2-a]pyrimidine-8-carboxamide;2-(4-fluorophenyl)-N-(4-methoxycyclohexyl)-4-methylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 157380388

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide?
The IUPAC name of N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide (CID 158491920) is N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide is CNc1nc(C)nc2c(C(=O)NC(C3CCC3)C(F)(F)F)ccn12.Cc1nc(-c2ccccc2)nc2c(C(=O)NC(C)C3CC3)ccn12.Cc1nc(-c2ccccn2)nc2c(C(=O)NC(C)C3CC3)ccn12.Cc1nc(N(C)C)nc2c(C(=O)N[C@@H](C)C3CCC3)ccn12.Cc1nc(N(C)C)nc2c(C(=O)N[C@H](C)C3CCC3)ccn12.Cc1nc(N2CCOCC2)nc2c(C(=O)NC(C)(C)C3CCC3)ccn12.Cc1nc(N2CCOCC2)nc2c(C(=O)NC(C3CCC3)C(F)(F)F)ccn12.
What is the InChIKey of N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide?
The InChIKey is HIULYEPRGKWKCW-OSQBKTQHSA-N. The full InChI is InChI=1S/C19H27N5O2.C19H20N4O.C18H22F3N5O2.C18H19N5O.2C16H23N5O.C15H18F3N5O/c1-13-20-18(23-9-11-26-12-10-23)21-16-15(7-8-24(13)16)17(25)22-19(2,3)14-5-4-6-14;1-12(14-8-9-14)20-19(24)16-10-11-23-13(2)21-17(22-18(16)23)15-6-4-3-5-7-15;1-11-22-17(25-7-9-28-10-8-25)24-15-13(5-6-26(11)15)16(27)23-14(18(19,20)21)12-3-2-4-12;1-11(13-6-7-13)20-18(24)14-8-10-23-12(2)21-16(22-17(14)23)15-5-3-4-9-19-15;2*1-10(12-6-5-7-12)17-15(22)13-8-9-21-11(2)18-16(20(3)4)19-14(13)21;1-8-20-12-10(6-7-23(12)14(19-2)21-8)13(24)22-11(15(16,17)18)9-4-3-5-9/h7-8,14H,4-6,9-12H2,1-3H3,(H,22,25);3-7,10-12,14H,8-9H2,1-2H3,(H,20,24);5-6,12,14H,2-4,7-10H2,1H3,(H,23,27);3-5,8-11,13H,6-7H2,1-2H3,(H,20,24);2*8-10,12H,5-7H2,1-4H3,(H,17,22);6-7,9,11H,3-5H2,1-2H3,(H,22,24)(H,19,20,21)/t;;;;2*10-;/m....10./s1.
What are the key properties of N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide?
N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide has a molecular weight of 2340.76 g/mol, XLogP of 16.96, 28 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-[(1R)-1-cyclobutylethyl]-2-(dimethylamino)-4-methylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(2-cyclobutylpropan-2-yl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-2-methyl-4-(methylamino)pyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclobutyl-2,2,2-trifluoroethyl)-4-methyl-2-morpholin-4-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-phenylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide;N-(1-cyclopropylethyl)-4-methyl-2-pyridin-2-ylpyrrolo[1,2-a][1,3,5]triazine-8-carboxamide is sourced from PubChem (CID 158491920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).