(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine

C200H260ClN79O2S — CID 159883251

IUPAC(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine
SMILESC[C@@H]1CN(c2nnnn2-c2ccccc2)CCN1.C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@H](C)N1.C[C@@H]1CN(c2nnnn2-c2ccccc2)[C@@H](C)CN1.C[C@@H]1CN(c2nnnn2C(C)(C)C)CCN1.C[C@@H]1CNCCN1c1nnnn1-c1ccccc1.C[C@H]1CN(c2nnnn2-c2ccccc2)CCN1.Cc1cc(N2CCNCC2)n(-c2ccccc2)n1.Cc1nnc(N2CCNCC2)n1-c1ccccc1.Clc1nsnc1N1CCNCC1.O=c1[nH]nc(N2CCNCC2)n1-c1ccccc1.O=c1cc(N2CCNCC2)c(-c2ccccc2)n[nH]1.c1ccc(-c2ccccc2N2CCNCC2)cc1.c1ccc(-n2c(N3CCNCC3)nc3ccccc32)cc1.c1ccc(-n2ccnc2N2CCNCC2)cc1.c1ccc(-n2cnnc2N2CCNCC2)cc1.c1ccc(-n2nnnc2N2CCNCC2)cc1
InChIInChI=1S/C17H18N4.C16H18N2.C14H16N4O.C14H18N4.2C13H18N6.C13H17N5.C13H16N4.3C12H16N6.C12H15N5O.C12H15N5.C11H14N6.C10H20N6.C6H9ClN4S/c1-2-6-14(7-3-1)21-16-9-5-4-8-15(16)19-17(21)20-12-10-18-11-13-20;1-2-6-14(7-3-1)15-8-4-5-9-16(15)18-12-10-17-11-13-18;19-13-10-12(18-8-6-15-7-9-18)14(17-16-13)11-4-2-1-3-5-11;1-12-11-14(17-9-7-15-8-10-17)18(16-12)13-5-3-2-4-6-13;1-10-9-18(11(2)8-14-10)13-15-16-17-19(13)12-6-4-3-5-7-12;1-10-8-18(9-11(2)14-10)13-15-16-17-19(13)12-6-4-3-5-7-12;1-11-15-16-13(17-9-7-14-8-10-17)18(11)12-5-3-2-4-6-12;1-2-4-12(5-3-1)17-11-8-15-13(17)16-9-6-14-7-10-16;2*1-10-9-17(8-7-13-10)12-14-15-16-18(12)11-5-3-2-4-6-11;1-10-9-13-7-8-17(10)12-14-15-16-18(12)11-5-3-2-4-6-11;18-12-15-14-11(16-8-6-13-7-9-16)17(12)10-4-2-1-3-5-10;1-2-4-11(5-3-1)17-10-14-15-12(17)16-8-6-13-7-9-16;1-2-4-10(5-3-1)17-11(13-14-15-17)16-8-6-12-7-9-16;1-8-7-15(6-5-11-8)9-12-13-14-16(9)10(2,3)4;7-5-6(10-12-9-5)11-3-1-8-2-4-11/h1-9,18H,10-13H2;1-9,17H,10-13H2;1-5,10,15H,6-9H2,(H,16,19);2-6,11,15H,7-10H2,1H3;2*3-7,10-11,14H,8-9H2,1-2H3;2-6,14H,7-10H2,1H3;1-5,8,11,14H,6-7,9-10H2;3*2-6,10,13H,7-9H2,1H3;1-5,13H,6-9H2,(H,15,18);1-5,10,13H,6-9H2;1-5,12H,6-9H2;8,11H,5-7H2,1-4H3;8H,1-4H2/t;;;;2*10-,11+;;;3*10-;;;;8-;/m....1...101...1./s1
InChIKeyNTUNEYLNVKOLIJ-QAWZCHFUSA-N
MW3870.35 g/mol
LogP14.53
Rot. Bonds30

About (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine

(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine (PubChem CID 159883251) has the molecular formula C200H260ClN79O2S and a molecular weight of 3870.35 g/mol. Its IUPAC name is (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine.

Molecular Properties

Compound Name(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine
PubChem CID159883251
Molecular FormulaC200H260ClN79O2S
Molecular Weight3870.35 g/mol
Exact Mass3867.21
IUPAC Name(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine
SMILESC[C@@H]1CN(c2nnnn2-c2ccccc2)CCN1.C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@H](C)N1.C[C@@H]1CN(c2nnnn2-c2ccccc2)[C@@H](C)CN1.C[C@@H]1CN(c2nnnn2C(C)(C)C)CCN1.C[C@@H]1CNCCN1c1nnnn1-c1ccccc1.C[C@H]1CN(c2nnnn2-c2ccccc2)CCN1.Cc1cc(N2CCNCC2)n(-c2ccccc2)n1.Cc1nnc(N2CCNCC2)n1-c1ccccc1.Clc1nsnc1N1CCNCC1.O=c1[nH]nc(N2CCNCC2)n1-c1ccccc1.O=c1cc(N2CCNCC2)c(-c2ccccc2)n[nH]1.c1ccc(-c2ccccc2N2CCNCC2)cc1.c1ccc(-n2c(N3CCNCC3)nc3ccccc32)cc1.c1ccc(-n2ccnc2N2CCNCC2)cc1.c1ccc(-n2cnnc2N2CCNCC2)cc1.c1ccc(-n2nnnc2N2CCNCC2)cc1
InChIInChI=1S/C17H18N4.C16H18N2.C14H16N4O.C14H18N4.2C13H18N6.C13H17N5.C13H16N4.3C12H16N6.C12H15N5O.C12H15N5.C11H14N6.C10H20N6.C6H9ClN4S/c1-2-6-14(7-3-1)21-16-9-5-4-8-15(16)19-17(21)20-12-10-18-11-13-20;1-2-6-14(7-3-1)15-8-4-5-9-16(15)18-12-10-17-11-13-18;19-13-10-12(18-8-6-15-7-9-18)14(17-16-13)11-4-2-1-3-5-11;1-12-11-14(17-9-7-15-8-10-17)18(16-12)13-5-3-2-4-6-13;1-10-9-18(11(2)8-14-10)13-15-16-17-19(13)12-6-4-3-5-7-12;1-10-8-18(9-11(2)14-10)13-15-16-17-19(13)12-6-4-3-5-7-12;1-11-15-16-13(17-9-7-14-8-10-17)18(11)12-5-3-2-4-6-12;1-2-4-12(5-3-1)17-11-8-15-13(17)16-9-6-14-7-10-16;2*1-10-9-17(8-7-13-10)12-14-15-16-18(12)11-5-3-2-4-6-11;1-10-9-13-7-8-17(10)12-14-15-16-18(12)11-5-3-2-4-6-11;18-12-15-14-11(16-8-6-13-7-9-16)17(12)10-4-2-1-3-5-10;1-2-4-11(5-3-1)17-10-14-15-12(17)16-8-6-13-7-9-16;1-2-4-10(5-3-1)17-11(13-14-15-17)16-8-6-12-7-9-16;1-8-7-15(6-5-11-8)9-12-13-14-16(9)10(2,3)4;7-5-6(10-12-9-5)11-3-1-8-2-4-11/h1-9,18H,10-13H2;1-9,17H,10-13H2;1-5,10,15H,6-9H2,(H,16,19);2-6,11,15H,7-10H2,1H3;2*3-7,10-11,14H,8-9H2,1-2H3;2-6,14H,7-10H2,1H3;1-5,8,11,14H,6-7,9-10H2;3*2-6,10,13H,7-9H2,1H3;1-5,13H,6-9H2,(H,15,18);1-5,10,13H,6-9H2;1-5,12H,6-9H2;8,11H,5-7H2,1-4H3;8H,1-4H2/t;;;;2*10-,11+;;;3*10-;;;;8-;/m....1...101...1./s1
InChIKeyNTUNEYLNVKOLIJ-QAWZCHFUSA-N
XLogP14.53
TPSA786.61 Ų
H-Bond Donors18
H-Bond Acceptors80
Rotatable Bonds30
Heavy Atoms283
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003870.35
LogP ≤ 514.53
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1080

Analyze (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine?
The IUPAC name of (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine (CID 159883251) is (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine.
What is the SMILES notation for (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine?
The canonical SMILES for (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine is C[C@@H]1CN(c2nnnn2-c2ccccc2)CCN1.C[C@@H]1CN(c2nnnn2-c2ccccc2)C[C@H](C)N1.C[C@@H]1CN(c2nnnn2-c2ccccc2)[C@@H](C)CN1.C[C@@H]1CN(c2nnnn2C(C)(C)C)CCN1.C[C@@H]1CNCCN1c1nnnn1-c1ccccc1.C[C@H]1CN(c2nnnn2-c2ccccc2)CCN1.Cc1cc(N2CCNCC2)n(-c2ccccc2)n1.Cc1nnc(N2CCNCC2)n1-c1ccccc1.Clc1nsnc1N1CCNCC1.O=c1[nH]nc(N2CCNCC2)n1-c1ccccc1.O=c1cc(N2CCNCC2)c(-c2ccccc2)n[nH]1.c1ccc(-c2ccccc2N2CCNCC2)cc1.c1ccc(-n2c(N3CCNCC3)nc3ccccc32)cc1.c1ccc(-n2ccnc2N2CCNCC2)cc1.c1ccc(-n2cnnc2N2CCNCC2)cc1.c1ccc(-n2nnnc2N2CCNCC2)cc1.
What is the InChIKey of (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine?
The InChIKey is NTUNEYLNVKOLIJ-QAWZCHFUSA-N. The full InChI is InChI=1S/C17H18N4.C16H18N2.C14H16N4O.C14H18N4.2C13H18N6.C13H17N5.C13H16N4.3C12H16N6.C12H15N5O.C12H15N5.C11H14N6.C10H20N6.C6H9ClN4S/c1-2-6-14(7-3-1)21-16-9-5-4-8-15(16)19-17(21)20-12-10-18-11-13-20;1-2-6-14(7-3-1)15-8-4-5-9-16(15)18-12-10-17-11-13-18;19-13-10-12(18-8-6-15-7-9-18)14(17-16-13)11-4-2-1-3-5-11;1-12-11-14(17-9-7-15-8-10-17)18(16-12)13-5-3-2-4-6-13;1-10-9-18(11(2)8-14-10)13-15-16-17-19(13)12-6-4-3-5-7-12;1-10-8-18(9-11(2)14-10)13-15-16-17-19(13)12-6-4-3-5-7-12;1-11-15-16-13(17-9-7-14-8-10-17)18(11)12-5-3-2-4-6-12;1-2-4-12(5-3-1)17-11-8-15-13(17)16-9-6-14-7-10-16;2*1-10-9-17(8-7-13-10)12-14-15-16-18(12)11-5-3-2-4-6-11;1-10-9-13-7-8-17(10)12-14-15-16-18(12)11-5-3-2-4-6-11;18-12-15-14-11(16-8-6-13-7-9-16)17(12)10-4-2-1-3-5-10;1-2-4-11(5-3-1)17-10-14-15-12(17)16-8-6-13-7-9-16;1-2-4-10(5-3-1)17-11(13-14-15-17)16-8-6-12-7-9-16;1-8-7-15(6-5-11-8)9-12-13-14-16(9)10(2,3)4;7-5-6(10-12-9-5)11-3-1-8-2-4-11/h1-9,18H,10-13H2;1-9,17H,10-13H2;1-5,10,15H,6-9H2,(H,16,19);2-6,11,15H,7-10H2,1H3;2*3-7,10-11,14H,8-9H2,1-2H3;2-6,14H,7-10H2,1H3;1-5,8,11,14H,6-7,9-10H2;3*2-6,10,13H,7-9H2,1H3;1-5,13H,6-9H2,(H,15,18);1-5,10,13H,6-9H2;1-5,12H,6-9H2;8,11H,5-7H2,1-4H3;8H,1-4H2/t;;;;2*10-,11+;;;3*10-;;;;8-;/m....1...101...1./s1.
What are the key properties of (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine?
(3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine has a molecular weight of 3870.35 g/mol, XLogP of 14.53, 30 rotatable bonds, 18 hydrogen bond donors, and 80 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-tert-butyltetrazol-5-yl)-3-methylpiperazine;3-chloro-4-piperazin-1-yl-1,2,5-thiadiazole;(2S,5R)-2,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S,5R)-3,5-dimethyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-2-phenylpyrazol-3-yl)piperazine;(2R)-2-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3R)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;(3S)-3-methyl-1-(1-phenyltetrazol-5-yl)piperazine;1-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)piperazine;1-(1-phenylimidazol-2-yl)piperazine;1-(2-phenylphenyl)piperazine;1-phenyl-2-piperazin-1-ylbenzimidazole;3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one;4-phenyl-3-piperazin-1-yl-1H-1,2,4-triazol-5-one;1-(1-phenyltetrazol-5-yl)piperazine;1-(4-phenyl-1,2,4-triazol-3-yl)piperazine is sourced from PubChem (CID 159883251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).