1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole

C126H224F3N45O — CID 157064007

IUPAC1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole
SMILESCC(C)(C)n1cc(C2CCCN2)nn1.CC(C)(C)n1cnc(C2CCCN2)c1.CC(C)(C)n1cnc([C@@H]2CCCN2)c1.CC(C)(C)n1cnc([C@H]2CCCN2)c1.CC(C)n1cc([C@@H]2CCCN2)nn1.CC(C)n1cc([C@@H]2CCCN2C)nn1.CC(C)n1cc([C@H]2CCCN2)nn1.CN1CCCC1c1cn(C(C)(C)C)nn1.CN1CCC[C@@H]1c1cn(C(C)(C)C)nn1.CNCc1cc(C(C)C)no1.CNCc1cn(C(C)C)c(C(F)(F)F)n1.CNCc1cn(C(C)C)c(C)n1.CNCc1cn(C(C)C)nn1
InChIInChI=1S/2C11H20N4.3C11H19N3.2C10H18N4.C9H14F3N3.2C9H16N4.C9H17N3.C8H14N2O.C7H14N4/c2*1-11(2,3)15-8-9(12-13-15)10-6-5-7-14(10)4;3*1-11(2,3)14-7-10(13-8-14)9-5-4-6-12-9;1-10(2,3)14-7-9(12-13-14)8-5-4-6-11-8;1-8(2)14-7-9(11-12-14)10-5-4-6-13(10)3;1-6(2)15-5-7(4-13-3)14-8(15)9(10,11)12;2*1-7(2)13-6-9(11-12-13)8-4-3-5-10-8;1-7(2)12-6-9(5-10-4)11-8(12)3;1-6(2)8-4-7(5-9-3)11-10-8;1-6(2)11-5-7(4-8-3)9-10-11/h2*8,10H,5-7H2,1-4H3;3*7-9,12H,4-6H2,1-3H3;7-8,11H,4-6H2,1-3H3;7-8,10H,4-6H2,1-3H3;5-6,13H,4H2,1-3H3;2*6-8,10H,3-5H2,1-2H3;6-7,10H,5H2,1-4H3;4,6,9H,5H2,1-3H3;5-6,8H,4H2,1-3H3/t10-;;2*9-;;;10-;;2*8-;;;/m1.10..0.10.../s1
InChIKeyABQUFMOOGZSELH-XQWOSTOISA-N
MW2442.49 g/mol
LogP21.23
Rot. Bonds24

About 1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole

1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole (PubChem CID 157064007) has the molecular formula C126H224F3N45O and a molecular weight of 2442.49 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole.

Molecular Properties

Compound Name1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole
PubChem CID157064007
Molecular FormulaC126H224F3N45O
Molecular Weight2442.49 g/mol
Exact Mass2440.88
IUPAC Name1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole
SMILESCC(C)(C)n1cc(C2CCCN2)nn1.CC(C)(C)n1cnc(C2CCCN2)c1.CC(C)(C)n1cnc([C@@H]2CCCN2)c1.CC(C)(C)n1cnc([C@H]2CCCN2)c1.CC(C)n1cc([C@@H]2CCCN2)nn1.CC(C)n1cc([C@@H]2CCCN2C)nn1.CC(C)n1cc([C@H]2CCCN2)nn1.CN1CCCC1c1cn(C(C)(C)C)nn1.CN1CCC[C@@H]1c1cn(C(C)(C)C)nn1.CNCc1cc(C(C)C)no1.CNCc1cn(C(C)C)c(C(F)(F)F)n1.CNCc1cn(C(C)C)c(C)n1.CNCc1cn(C(C)C)nn1
InChIInChI=1S/2C11H20N4.3C11H19N3.2C10H18N4.C9H14F3N3.2C9H16N4.C9H17N3.C8H14N2O.C7H14N4/c2*1-11(2,3)15-8-9(12-13-15)10-6-5-7-14(10)4;3*1-11(2,3)14-7-10(13-8-14)9-5-4-6-12-9;1-10(2,3)14-7-9(12-13-14)8-5-4-6-11-8;1-8(2)14-7-9(11-12-14)10-5-4-6-13(10)3;1-6(2)15-5-7(4-13-3)14-8(15)9(10,11)12;2*1-7(2)13-6-9(11-12-13)8-4-3-5-10-8;1-7(2)12-6-9(5-10-4)11-8(12)3;1-6(2)8-4-7(5-9-3)11-10-8;1-6(2)11-5-7(4-8-3)9-10-11/h2*8,10H,5-7H2,1-4H3;3*7-9,12H,4-6H2,1-3H3;7-8,11H,4-6H2,1-3H3;7-8,10H,4-6H2,1-3H3;5-6,13H,4H2,1-3H3;2*6-8,10H,3-5H2,1-2H3;6-7,10H,5H2,1-4H3;4,6,9H,5H2,1-3H3;5-6,8H,4H2,1-3H3/t10-;;2*9-;;;10-;;2*8-;;;/m1.10..0.10.../s1
InChIKeyABQUFMOOGZSELH-XQWOSTOISA-N
XLogP21.23
TPSA460.12 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds24
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002442.49
LogP ≤ 521.23
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Analyze 1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole with MolForge

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Launch Full Analysis

Related Compounds

CID 157626585
CID 157626585
4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;1-tert-butyl-3-ethylpyrazole;1-(1-tert-butylimidazol-4-yl)-N-methylmethanamine;1-(1-tert-butyl-2-methylimidazol-4-yl)-N-methylmethanamine;N-[(1-tert-butylpyrazol-3-yl)methyl]ethanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-ylpyrazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-3-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-yl-3-propylpyrrolidine;1-propan-2-ylpyrazole-4-carboxylic acid;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-(1-propan-2-ylpyrrolidin-3-yl)propan-1-one
CID 157719407
4-(azetidin-1-ylmethyl)-1-propan-2-ylpyrazole;1-(1-tert-butyl-2-methylimidazol-4-yl)-N-methylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;N-[(1-tert-butylpyrazol-4-yl)methyl]ethanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;bis(1-tert-butyl-4-pyrrolidin-2-ylpyrazole);1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-ylpyrazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;1-propan-2-yl-3-propylpyrrolidine;1-(1-propan-2-ylpyrazol-4-yl)ethenol;N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine;1-(1-propan-2-ylpyrrolidin-3-yl)propan-1-one
CID 157848025
CID 158400035
CID 158400035
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584344
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584909
N-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine
CID 167937001
4-(azetidin-1-ylmethyl)-1-tert-butylpyrazole;1-(2-tert-butyl-4-fluoro-1H-imidazol-5-yl)-N-methylmethanamine;1-(1-tert-butyl-3-fluoropyrazol-4-yl)-N-methylmethanamine;4-tert-butyl-1-methylimidazole;4-tert-butyl-1-methyltriazole;1-(5-tert-butyl-1,2-oxazol-3-yl)-N-methylmethanamine;1-(1-tert-butylpyrazol-4-yl)-N,N-dimethylmethanamine;(1-tert-butylpyrazol-4-yl)methanamine;1-(1-tert-butylpyrazol-4-yl)-N-methylmethanamine;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]pyrazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]triazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]triazole;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine
CID 157098164
1-[(3-isobutylisoxazol-5-yl)methyl]-4-(1-methyl-1H-imidazol-2-yl)-1H-1,2,3-triazole
CID 70774077
2-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-1-ethyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111584343
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 111584908
5-[[4-[(2-Ethylimidazol-1-yl)methyl]triazol-1-yl]methyl]-3-piperidin-4-yl-1,2-oxazole
CID 167859214

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole?
The IUPAC name of 1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole (CID 157064007) is 1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole.
What is the SMILES notation for 1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole?
The canonical SMILES for 1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole is CC(C)(C)n1cc(C2CCCN2)nn1.CC(C)(C)n1cnc(C2CCCN2)c1.CC(C)(C)n1cnc([C@@H]2CCCN2)c1.CC(C)(C)n1cnc([C@H]2CCCN2)c1.CC(C)n1cc([C@@H]2CCCN2)nn1.CC(C)n1cc([C@@H]2CCCN2C)nn1.CC(C)n1cc([C@H]2CCCN2)nn1.CN1CCCC1c1cn(C(C)(C)C)nn1.CN1CCC[C@@H]1c1cn(C(C)(C)C)nn1.CNCc1cc(C(C)C)no1.CNCc1cn(C(C)C)c(C(F)(F)F)n1.CNCc1cn(C(C)C)c(C)n1.CNCc1cn(C(C)C)nn1.
What is the InChIKey of 1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole?
The InChIKey is ABQUFMOOGZSELH-XQWOSTOISA-N. The full InChI is InChI=1S/2C11H20N4.3C11H19N3.2C10H18N4.C9H14F3N3.2C9H16N4.C9H17N3.C8H14N2O.C7H14N4/c2*1-11(2,3)15-8-9(12-13-15)10-6-5-7-14(10)4;3*1-11(2,3)14-7-10(13-8-14)9-5-4-6-12-9;1-10(2,3)14-7-9(12-13-14)8-5-4-6-11-8;1-8(2)14-7-9(11-12-14)10-5-4-6-13(10)3;1-6(2)15-5-7(4-13-3)14-8(15)9(10,11)12;2*1-7(2)13-6-9(11-12-13)8-4-3-5-10-8;1-7(2)12-6-9(5-10-4)11-8(12)3;1-6(2)8-4-7(5-9-3)11-10-8;1-6(2)11-5-7(4-8-3)9-10-11/h2*8,10H,5-7H2,1-4H3;3*7-9,12H,4-6H2,1-3H3;7-8,11H,4-6H2,1-3H3;7-8,10H,4-6H2,1-3H3;5-6,13H,4H2,1-3H3;2*6-8,10H,3-5H2,1-2H3;6-7,10H,5H2,1-4H3;4,6,9H,5H2,1-3H3;5-6,8H,4H2,1-3H3/t10-;;2*9-;;;10-;;2*8-;;;/m1.10..0.10.../s1.
What are the key properties of 1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole?
1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole has a molecular weight of 2442.49 g/mol, XLogP of 21.23, 24 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-methylpyrrolidin-2-yl)triazole;1-tert-butyl-4-[(2R)-1-methylpyrrolidin-2-yl]triazole;1-tert-butyl-4-pyrrolidin-2-ylimidazole;1-tert-butyl-4-[(2R)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-[(2S)-pyrrolidin-2-yl]imidazole;1-tert-butyl-4-pyrrolidin-2-yltriazole;N-methyl-1-(2-methyl-1-propan-2-ylimidazol-4-yl)methanamine;N-methyl-1-(3-propan-2-yl-1,2-oxazol-5-yl)methanamine;N-methyl-1-(1-propan-2-yltriazol-4-yl)methanamine;N-methyl-1-[1-propan-2-yl-2-(trifluoromethyl)imidazol-4-yl]methanamine;4-[(2S)-1-methylpyrrolidin-2-yl]-1-propan-2-yltriazole;1-propan-2-yl-4-[(2R)-pyrrolidin-2-yl]triazole;1-propan-2-yl-4-[(2S)-pyrrolidin-2-yl]triazole is sourced from PubChem (CID 157064007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).