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

C141H251FN46O — CID 167564442

IUPACbis(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
SMILESCC(C)(C)c1nnc2cccnn12.CC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc(CN2CCC2)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.CN(C)Cc1cnn(C(C)(C)C)c1.CNCc1cc(C(C)(C)C)on1.CNCc1cn(C(C)(C)C)nc1F.CNCc1cn(C(C)(C)C)nn1.CNCc1cnn(C(C)(C)C)c1.CNCc1nc(C(C)(C)C)[nH]c1C.Cn1cc(C(C)(C)C)nn1.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/4C11H19N3.C10H18N4.2C10H19N3.C9H16FN3.C9H12N4.C9H17N3.C9H16N2O.C8H16N4.C8H15N3.C8H14N2.C7H13N3/c2*1-11(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;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;1-7-8(6-11-5)13-9(12-7)10(2,3)4;1-9(2,3)13-6-7(5-11-4)8(10)12-13;1-9(2,3)8-12-11-7-5-4-6-10-13(7)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/h2*7,9H,4-6,8H2,1-3H3;2*7-8,10,12H,4-6H2,1-3H3;7-8,11H,4-6H2,1-3H3;6,8H,7H2,1-5H3;11H,6H2,1-5H3,(H,12,13);6,11H,5H2,1-4H3;4-6H,1-3H3;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-;8-;;;;;;;;;;/m..100........../s1
InChIKeyFCCBQBHDWAUQNZ-VXCXNAQKSA-N
MW2625.88 g/mol
LogP23.35
Rot. Bonds20

About 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

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 (PubChem CID 167564442) has the molecular formula C141H251FN46O and a molecular weight of 2625.88 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namebis(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
PubChem CID167564442
Molecular FormulaC141H251FN46O
Molecular Weight2625.88 g/mol
Exact Mass2624.10
IUPAC Namebis(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
SMILESCC(C)(C)c1nnc2cccnn12.CC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc(CN2CCC2)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.CN(C)Cc1cnn(C(C)(C)C)c1.CNCc1cc(C(C)(C)C)on1.CNCc1cn(C(C)(C)C)nc1F.CNCc1cn(C(C)(C)C)nn1.CNCc1cnn(C(C)(C)C)c1.CNCc1nc(C(C)(C)C)[nH]c1C.Cn1cc(C(C)(C)C)nn1.Cn1cnc(C(C)(C)C)c1
InChIInChI=1S/4C11H19N3.C10H18N4.2C10H19N3.C9H16FN3.C9H12N4.C9H17N3.C9H16N2O.C8H16N4.C8H15N3.C8H14N2.C7H13N3/c2*1-11(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;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;1-7-8(6-11-5)13-9(12-7)10(2,3)4;1-9(2,3)13-6-7(5-11-4)8(10)12-13;1-9(2,3)8-12-11-7-5-4-6-10-13(7)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/h2*7,9H,4-6,8H2,1-3H3;2*7-8,10,12H,4-6H2,1-3H3;7-8,11H,4-6H2,1-3H3;6,8H,7H2,1-5H3;11H,6H2,1-5H3,(H,12,13);6,11H,5H2,1-4H3;4-6H,1-3H3;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-;8-;;;;;;;;;;/m..100........../s1
InChIKeyFCCBQBHDWAUQNZ-VXCXNAQKSA-N
XLogP23.35
TPSA482.28 Ų
H-Bond Donors10
H-Bond Acceptors46
Rotatable Bonds20
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002625.88
LogP ≤ 523.35
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1046

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1nnc2cccnn12.CC(C)(C)n1cc(CN)cn1.CC(C)(C)n1cc(CN2CCC2)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.CN(C)Cc1cnn(C(C)(C)C)c1.CNCc1cc(C(C)(C)C)on1.CNCc1cn(C(C)(C)C)nc1F.CNCc1cn(C(C)(C)C)nn1.CNCc1cnn(C(C)(C)C)c1.CNCc1nc(C(C)(C)C)[nH]c1C.Cn1cc(C(C)(C)C)nn1.Cn1cnc(C(C)(C)C)c1.
What is the InChIKey of 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?
The InChIKey is FCCBQBHDWAUQNZ-VXCXNAQKSA-N. The full InChI is InChI=1S/4C11H19N3.C10H18N4.2C10H19N3.C9H16FN3.C9H12N4.C9H17N3.C9H16N2O.C8H16N4.C8H15N3.C8H14N2.C7H13N3/c2*1-11(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;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;1-7-8(6-11-5)13-9(12-7)10(2,3)4;1-9(2,3)13-6-7(5-11-4)8(10)12-13;1-9(2,3)8-12-11-7-5-4-6-10-13(7)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/h2*7,9H,4-6,8H2,1-3H3;2*7-8,10,12H,4-6H2,1-3H3;7-8,11H,4-6H2,1-3H3;6,8H,7H2,1-5H3;11H,6H2,1-5H3,(H,12,13);6,11H,5H2,1-4H3;4-6H,1-3H3;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-;8-;;;;;;;;;;/m..100........../s1.
What are the key properties of 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?
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 has a molecular weight of 2625.88 g/mol, XLogP of 23.35, 20 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167564442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).