azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene

C179H391N31OS3 — CID 158218147

IUPACazetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene
SMILESC1CCNC1.C1CNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CC1.CC(C)C1N=NN=N1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1ccnc1.Cn1cccn1.Cn1ccnn1.Cn1cncn1.c1ccccc1.c1ccncc1.c1ccsc1.c1cncnc1.c1cscn1.c1nncs1
InChIInChI=1S/C8H18N2.C7H15NO.C7H15N.3C6H10N2.C6H13N.C6H12.C6H6.C5H5N.C4H8N4.C4H6N2.C4H4N2.C4H9N.C4H4S.11C4H10.2C3H5N3.C3H3NS.C3H7N.C2H2N2S.19C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;2*1-6(2)8-5-3-4-7-8;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6;2*1-2-4-6-5-3-1;1-3(2)4-5-7-8-6-4;1-6-4-2-3-5-6;1-2-5-4-6-3-1;2*1-2-4-5-3-1;11*1-4(2)3;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-2-5-3-4-1;1-2-4-3-1;1-3-4-2-5-1;19*1-2/h8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;1-6H;1-5H;3-4H,1-2H3;2-4H,1H3;1-4H;5H,1-4H2;1-4H;11*4H,1-3H3;2*2-3H,1H3;1-3H;4H,1-3H2;1-2H;19*1-2H3
InChIKeyGCXLXHQHRVRERW-UHFFFAOYSA-N
MW3090.51 g/mol
LogP57.06
Rot. Bonds9

About azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene

azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene (PubChem CID 158218147) has the molecular formula C179H391N31OS3 and a molecular weight of 3090.51 g/mol. Its IUPAC name is azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene.

Molecular Properties

Compound Nameazetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene
PubChem CID158218147
Molecular FormulaC179H391N31OS3
Molecular Weight3090.51 g/mol
Exact Mass3088.07
IUPAC Nameazetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene
SMILESC1CCNC1.C1CNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CC1.CC(C)C1N=NN=N1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1ccnc1.Cn1cccn1.Cn1ccnn1.Cn1cncn1.c1ccccc1.c1ccncc1.c1ccsc1.c1cncnc1.c1cscn1.c1nncs1
InChIInChI=1S/C8H18N2.C7H15NO.C7H15N.3C6H10N2.C6H13N.C6H12.C6H6.C5H5N.C4H8N4.C4H6N2.C4H4N2.C4H9N.C4H4S.11C4H10.2C3H5N3.C3H3NS.C3H7N.C2H2N2S.19C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;2*1-6(2)8-5-3-4-7-8;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6;2*1-2-4-6-5-3-1;1-3(2)4-5-7-8-6-4;1-6-4-2-3-5-6;1-2-5-4-6-3-1;2*1-2-4-5-3-1;11*1-4(2)3;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-2-5-3-4-1;1-2-4-3-1;1-3-4-2-5-1;19*1-2/h8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;1-6H;1-5H;3-4H,1-2H3;2-4H,1H3;1-4H;5H,1-4H2;1-4H;11*4H,1-3H3;2*2-3H,1H3;1-3H;4H,1-3H2;1-2H;19*1-2H3
InChIKeyGCXLXHQHRVRERW-UHFFFAOYSA-N
XLogP57.06
TPSA308.97 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds9
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003090.51
LogP ≤ 557.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene with MolForge

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Related Compounds

N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4,5-dimethyl-1-(2-methylpropyl)triazole;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(3-methylbutyl)-1,3-thiazol-2-amine;4-(3-methylbutyl)-N-propan-2-yl-1,3-thiazol-2-amine;2-(3-methylbutyl)pyridine;5-(3-methylbutyl)-1,3-thiazole;2-(3-methylbutyl)triazole;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;2-(2-methylpropyl)pyrimidine;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 158126927
N-cyclopropyl-N-methyl-1-propan-2-ylpiperidin-4-amine;2-cyclopropyl-6-(2-methylpropyl)pyridine;4-cyclopropyl-2-(2-methylpropyl)triazole;3,3-difluoro-1-(2-methylpropyl)piperidine;N,N-dimethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;4,5-dimethyl-1-(2-methylpropyl)triazole;N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine;N-ethyl-4-(2-methylpropyl)-1,3-thiazol-2-amine;2-methyl-6-(2-methylpropyl)pyridine;2-methyl-4-(2-methylpropyl)triazole;4-methyl-2-(2-methylpropyl)triazole;4-(2-methylpropyl)morpholine;2-(2-methylpropyl)pyrazine;2-(2-methylpropyl)pyridine;1-(2-methylpropyl)triazole;2-(2-methylpropyl)triazole
CID 161467698
azetidine;benzene;ethane;methane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene
CID 157433179
1-cyano-2-ethylguanidine;ethane;1-ethyl-4,5-dihydroimidazol-2-amine;1-ethyl-4,5-dihydroimidazole;2-ethyl-3,4-dihydropyrazole;N-ethyl-N,1-dimethyl-4,5-dihydroimidazol-2-amine;2-ethyl-1,1-dimethylguanidine;2-ethylguanidine;1-ethylimidazole;N-ethyl-N-methylbenzenecarboximidamide;N-ethyl-N-methylcyclopropanecarboximidamide;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine;N-ethyl-N-methylethanimidamide;1-ethyl-1-methylguanidine;1-ethyl-3-methylimidazolidin-2-imine;1-ethyl-4-methylpiperazine;N-ethyl-N-methylpyridine-4-carboximidamide;N-ethyl-N-methylthiophene-2-carboximidamide;4-ethylmorpholine;3-ethyl-1,3-oxazolidin-2-imine;1-ethylpiperidine;1-ethylpyrazole;1-ethylpyrrole;1-ethylpyrrolidine;1-ethylpyrrolidin-2-imine;1-ethyl-1,2,4-triazole;1-ethyl-1,3,3-trimethylguanidine
CID 158472178
Cumene;2-propan-2-ylazetidine;3-propan-2-ylazetidine;propan-2-ylcyclobutane;propan-2-ylcyclopentane;propan-2-ylcyclopropane;2-propan-2-ylmorpholine;3-propan-2-ylmorpholine;4-propan-2-ylmorpholine;3-propan-2-yloxetane;2-propan-2-yloxolane;3-propan-2-yloxolane;1-propan-2-ylpiperazine;2-propan-2-ylpiperidine;3-propan-2-ylpiperidine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidine;2-propan-2-ylpyrrolidine;3-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 159020714
ethane;1-ethyl-4,5-dihydroimidazol-2-amine;1-ethyl-4,5-dihydroimidazole;2-ethyl-3,4-dihydropyrazole;N-ethyl-N,1-dimethyl-4,5-dihydroimidazol-2-amine;1-ethylimidazole;N-ethyl-N-methylbenzenecarboximidamide;N-ethyl-N-methylcyclopropanecarboximidamide;N-ethyl-N-methyl-4,5-dihydro-1H-imidazol-2-amine;N-ethyl-N-methyl-4,5-dihydro-1,3-oxazol-2-amine;N-ethyl-N-methyl-3,4-dihydro-2H-pyrrol-5-amine;N-ethyl-N-methylethanimidamide;1-ethyl-4-methylpiperazine;N-ethyl-N-methylpyridine-4-carboximidamide;N-ethyl-N-methylthiophene-2-carboximidamide;4-ethylmorpholine;3-ethyl-1,3-oxazolidin-2-imine;1-ethylpiperidine;1-ethylpyrazole;1-ethylpyrrole;1-ethylpyrrolidine;1-ethyl-1,2,4-triazole;1-ethyl-1,3,3-trimethylguanidine
CID 159033296
Azetidine;benzene;ethane;octakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;1-propan-2-ylpyrrolidine;pyridine;pyrimidine;pyrrolidine;1,3-thiazole;thiophene
CID 159401240
1-(dimethylamino)ethanol;2,5-dimethyltetrazole;3,4-dimethyl-1,2,4-triazole;ethane;1-methylimidazole;piperidine;pyrazine;pyridazine;pyridine;pyrimidine;1,3-thiazole;toluene;2H-triazole;2,4,6-trimethyl-1,3,5-triazine
CID 160607823
1-cyclopropylethanimine;1,2-dimethyl-4,5-dihydroimidazole;ethanamine;ethane;1-ethyl-4,5-dihydroimidazol-2-amine;1-ethyl-4,5-dihydroimidazole;2-ethyl-3,4-dihydropyrazole;1-ethylimidazole;1-ethyl-3-methylimidazolidin-2-imine;1-ethyl-4-methylpiperazine;4-ethylmorpholine;3-ethyl-1,3-oxazolidin-2-imine;1-ethylpiperidine;1-ethylpyrazole;1-ethylpyrrole;1-ethylpyrrolidine;1-ethylpyrrolidin-2-imine;1-ethyl-1,2,4-triazole;2-methyl-4,5-dihydro-1H-imidazole;2-methyl-4,5-dihydro-1,3-oxazole;5-methyl-3,4-dihydro-2H-pyrrole;1-phenylethanimine;propan-2-imine;1-pyridin-4-ylethanimine;1-thiophen-2-ylethanimine
CID 160659800
2-tert-butyl-2,3-dihydropyridine;2-tert-butyl-1H-imidazole;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;3-tert-butylpyridazine;4-tert-butylpyridazine;1-tert-butyl-2H-pyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole
CID 161234270
2-(aminomethylidene)-3-methylbutanal;cumene;ethane;(Z)-2-methanimidoyl-3-methylbut-1-en-1-amine;propan-2-ylcyclobutane;1-propan-2-ylcyclohexene;propan-2-ylcyclopentane;propan-2-ylcyclopropane;1-propan-2-ylimidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;(Z)-2-propan-2-ylprop-1-ene-1,3-diamine;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,3-thiazole;5-propan-2-yl-5H-1,3-thiazol-2-one;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 161293480
2-tert-butyl-2,3-dihydropyridine;2-tert-butyl-1H-imidazole;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;3-tert-butylpyridazine;4-tert-butylpyridazine;1-tert-butyl-2H-pyridine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrolidine;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;3-tert-butyl-1,2,4-triazine;bis(5-tert-butyl-1,2,4-triazine);5-tert-butyl-1H-1,2,4-triazole
CID 161324875

Frequently Asked Questions

What is the IUPAC name of azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The IUPAC name of azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene (CID 158218147) is azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene.
What is the SMILES notation for azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The canonical SMILES for azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene is C1CCNC1.C1CNC1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C1CC1.CC(C)C1N=NN=N1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)n1cccn1.CC(C)n1cccn1.CC(C)n1ccnc1.Cn1cccn1.Cn1ccnn1.Cn1cncn1.c1ccccc1.c1ccncc1.c1ccsc1.c1cncnc1.c1cscn1.c1nncs1.
What is the InChIKey of azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene?
The InChIKey is GCXLXHQHRVRERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C7H15NO.C7H15N.3C6H10N2.C6H13N.C6H12.C6H6.C5H5N.C4H8N4.C4H6N2.C4H4N2.C4H9N.C4H4S.11C4H10.2C3H5N3.C3H3NS.C3H7N.C2H2N2S.19C2H6/c1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;2*1-6(2)8-5-3-4-7-8;1-6(2)7-4-3-5-7;1-5(2)6-3-4-6;2*1-2-4-6-5-3-1;1-3(2)4-5-7-8-6-4;1-6-4-2-3-5-6;1-2-5-4-6-3-1;2*1-2-4-5-3-1;11*1-4(2)3;1-6-3-4-2-5-6;1-6-3-2-4-5-6;1-2-5-3-4-1;1-2-4-3-1;1-3-4-2-5-1;19*1-2/h8H,4-7H2,1-3H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3*3-6H,1-2H3;6H,3-5H2,1-2H3;5-6H,3-4H2,1-2H3;1-6H;1-5H;3-4H,1-2H3;2-4H,1H3;1-4H;5H,1-4H2;1-4H;11*4H,1-3H3;2*2-3H,1H3;1-3H;4H,1-3H2;1-2H;19*1-2H3.
What are the key properties of azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene?
azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene has a molecular weight of 3090.51 g/mol, XLogP of 57.06, 9 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;benzene;ethane;undecakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;1-methylpyrazole;1-methyltriazole;1-methyl-1,2,4-triazole;1-propan-2-ylazetidine;propan-2-ylcyclopropane;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;bis(1-propan-2-ylpyrazole);1-propan-2-ylpyrrolidine;5-propan-2-yl-5H-tetrazole;pyridine;pyrimidine;pyrrolidine;1,3,4-thiadiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158218147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).