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

C130H235F2N43O — CID 157098164

IUPAC4-(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
SMILESCC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc(CN2CCC2)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)nn1.CC(C)(C)n1cc([C@H]2CCCN2)cn1.CC(C)(C)n1cc([C@H]2CCCN2)nn1.CN(C)Cc1cnn(C(C)(C)C)c1.CNCc1[nH]c(C(C)(C)C)nc1F.CNCc1cc(C(C)(C)C)on1.CNCc1cn(C(C)(C)C)nc1F.CNCc1cn(C(C)(C)C)nn1.CNCc1cnn(C(C)(C)C)c1.Cn1cc(C(C)(C)C)nn1.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/3C11H19N3.2C10H18N4.C10H19N3.2C9H16FN3.C9H17N3.C9H16N2O.C8H16N4.C8H15N3.C8H14N2.C7H13N3/c1-11(2,3)14-9-10(7-12-14)8-13-5-4-6-13;2*1-11(2,3)14-8-9(7-13-14)10-5-4-6-12-10;2*1-10(2,3)14-7-9(12-13-14)8-5-4-6-11-8;1-10(2,3)13-8-9(6-11-13)7-12(4)5;1-9(2,3)13-6-7(5-11-4)8(10)12-13;1-9(2,3)8-12-6(5-11-4)7(10)13-8;1-9(2,3)12-7-8(5-10-4)6-11-12;1-9(2,3)8-5-7(6-10-4)11-12-8;1-8(2,3)12-6-7(5-9-4)10-11-12;1-8(2,3)11-6-7(4-9)5-10-11;1-8(2,3)7-5-10(4)6-9-7;1-7(2,3)6-5-10(4)9-8-6/h7,9H,4-6,8H2,1-3H3;2*7-8,10,12H,4-6H2,1-3H3;2*7-8,11H,4-6H2,1-3H3;6,8H,7H2,1-5H3;6,11H,5H2,1-4H3;11H,5H2,1-4H3,(H,12,13);6-7,10H,5H2,1-4H3;5,10H,6H2,1-4H3;6,9H,5H2,1-4H3;5-6H,4,9H2,1-3H3;5-6H,1-4H3;5H,1-4H3/t;2*10-;2*8-;;;;;;;;;/m.1010........./s1
InChIKeyAFLIEJSJPBICDC-ULTSPWCFSA-N
MW2454.61 g/mol
LogP21.37
Rot. Bonds19

About 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

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 (PubChem CID 157098164) has the molecular formula C130H235F2N43O and a molecular weight of 2454.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID157098164
Molecular FormulaC130H235F2N43O
Molecular Weight2454.61 g/mol
Exact Mass2452.96
IUPAC Name4-(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
SMILESCC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc(CN2CCC2)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)nn1.CC(C)(C)n1cc([C@H]2CCCN2)cn1.CC(C)(C)n1cc([C@H]2CCCN2)nn1.CN(C)Cc1cnn(C(C)(C)C)c1.CNCc1[nH]c(C(C)(C)C)nc1F.CNCc1cc(C(C)(C)C)on1.CNCc1cn(C(C)(C)C)nc1F.CNCc1cn(C(C)(C)C)nn1.CNCc1cnn(C(C)(C)C)c1.Cn1cc(C(C)(C)C)nn1.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/3C11H19N3.2C10H18N4.C10H19N3.2C9H16FN3.C9H17N3.C9H16N2O.C8H16N4.C8H15N3.C8H14N2.C7H13N3/c1-11(2,3)14-9-10(7-12-14)8-13-5-4-6-13;2*1-11(2,3)14-8-9(7-13-14)10-5-4-6-12-10;2*1-10(2,3)14-7-9(12-13-14)8-5-4-6-11-8;1-10(2,3)13-8-9(6-11-13)7-12(4)5;1-9(2,3)13-6-7(5-11-4)8(10)12-13;1-9(2,3)8-12-6(5-11-4)7(10)13-8;1-9(2,3)12-7-8(5-10-4)6-11-12;1-9(2,3)8-5-7(6-10-4)11-12-8;1-8(2,3)12-6-7(5-9-4)10-11-12;1-8(2,3)11-6-7(4-9)5-10-11;1-8(2,3)7-5-10(4)6-9-7;1-7(2,3)6-5-10(4)9-8-6/h7,9H,4-6,8H2,1-3H3;2*7-8,10,12H,4-6H2,1-3H3;2*7-8,11H,4-6H2,1-3H3;6,8H,7H2,1-5H3;6,11H,5H2,1-4H3;11H,5H2,1-4H3,(H,12,13);6-7,10H,5H2,1-4H3;5,10H,6H2,1-4H3;6,9H,5H2,1-4H3;5-6H,4,9H2,1-3H3;5-6H,1-4H3;5H,1-4H3/t;2*10-;2*8-;;;;;;;;;/m.1010........./s1
InChIKeyAFLIEJSJPBICDC-ULTSPWCFSA-N
XLogP21.37
TPSA460.88 Ų
H-Bond Donors11
H-Bond Acceptors43
Rotatable Bonds19
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002454.61
LogP ≤ 521.37
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1043

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[1-[4-(1H-imidazol-2-ylmethyl)-2-[4-(1H-imidazol-5-ylmethyl)-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-3-methyl-1-[5-methyl-4-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(trifluoromethyl)-3H-pyrazol-2-ium-2-yl]-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,2-oxazole
CID 91802315
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
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
4-tert-butyl-1,5-dimethylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyl-1-methyltriazole
CID 157797012
4-tert-butyl-1,5-dimethylimidazole;2-tert-butyl-5-methyl-1H-imidazole;4-tert-butyl-1-methylimidazole;5-tert-butyl-2-methyl-1H-imidazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;4-tert-butyl-1-methyltriazole;methane
CID 157837935
4-Tert-butyl-1-methylimidazole;5-tert-butyl-3-methyl-1,2-oxazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole
CID 159662353
1,4-Ditert-butylimidazole;3,5-ditert-butyl-1,2,4-oxadiazole;bis(3,5-ditert-butyl-1,2-oxazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole
CID 160718147
1,4-dimethylimidazole;bis(2,5-dimethyl-1H-imidazole);3,5-dimethyl-1,2-oxazole;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,4-dimethyltriazole;3,5-dimethyl-1H-1,2,4-triazole;ethane;methane;1,4,5-trimethylimidazole
CID 160854393
bis(4-(azetidin-1-ylmethyl)-1-tert-butylpyrazole);1-(1-tert-butyl-3-fluoropyrazol-4-yl)-N-methylmethanamine;4-tert-butyl-1-methylimidazole;1-(2-tert-butyl-5-methyl-1H-imidazol-4-yl)-N-methylmethanamine;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;3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;1-(1-tert-butyltriazol-4-yl)-N-methylmethanamine
CID 167564442

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc(CN2CCC2)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)cn1.CC(C)(C)n1cc([C@@H]2CCCN2)nn1.CC(C)(C)n1cc([C@H]2CCCN2)cn1.CC(C)(C)n1cc([C@H]2CCCN2)nn1.CN(C)Cc1cnn(C(C)(C)C)c1.CNCc1[nH]c(C(C)(C)C)nc1F.CNCc1cc(C(C)(C)C)on1.CNCc1cn(C(C)(C)C)nc1F.CNCc1cn(C(C)(C)C)nn1.CNCc1cnn(C(C)(C)C)c1.Cn1cc(C(C)(C)C)nn1.Cn1cnc(C(C)(C)C)c1.
What is the InChIKey of 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?
The InChIKey is AFLIEJSJPBICDC-ULTSPWCFSA-N. The full InChI is InChI=1S/3C11H19N3.2C10H18N4.C10H19N3.2C9H16FN3.C9H17N3.C9H16N2O.C8H16N4.C8H15N3.C8H14N2.C7H13N3/c1-11(2,3)14-9-10(7-12-14)8-13-5-4-6-13;2*1-11(2,3)14-8-9(7-13-14)10-5-4-6-12-10;2*1-10(2,3)14-7-9(12-13-14)8-5-4-6-11-8;1-10(2,3)13-8-9(6-11-13)7-12(4)5;1-9(2,3)13-6-7(5-11-4)8(10)12-13;1-9(2,3)8-12-6(5-11-4)7(10)13-8;1-9(2,3)12-7-8(5-10-4)6-11-12;1-9(2,3)8-5-7(6-10-4)11-12-8;1-8(2,3)12-6-7(5-9-4)10-11-12;1-8(2,3)11-6-7(4-9)5-10-11;1-8(2,3)7-5-10(4)6-9-7;1-7(2,3)6-5-10(4)9-8-6/h7,9H,4-6,8H2,1-3H3;2*7-8,10,12H,4-6H2,1-3H3;2*7-8,11H,4-6H2,1-3H3;6,8H,7H2,1-5H3;6,11H,5H2,1-4H3;11H,5H2,1-4H3,(H,12,13);6-7,10H,5H2,1-4H3;5,10H,6H2,1-4H3;6,9H,5H2,1-4H3;5-6H,4,9H2,1-3H3;5-6H,1-4H3;5H,1-4H3/t;2*10-;2*8-;;;;;;;;;/m.1010........./s1.
What are the key properties of 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?
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 has a molecular weight of 2454.61 g/mol, XLogP of 21.37, 19 rotatable bonds, 11 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157098164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).