azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole

C138H235N39O4S2 — CID 159014140

IUPACazane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole
SMILESCC(C)C1=NN=NC1.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1nncs1.CC(C)c1nnnn1C.CN/C=C(\N)C(C)C.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1nnc(C(C)C)s1.N.[H]/N=C(\O/C(C)=N/[H])C(C)C.[H]/N=C(\O/C=N/[H])C(C)C
InChIInChI=1S/C9H13N.C8H12N2.3C8H11N.C8H16O.2C7H12N2.2C7H10N2.C6H12N2O.C6H10N2S.2C6H10N2.C6H14N2.C6H12O.C5H10N4.2C5H9N3.C5H10N2O.C5H8N2S.H3N/c1-7(2)9-5-4-8(3)10-6-9;1-6(2)8-4-9-7(3)10-5-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-4(2)6(8)9-5(3)7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6(7)4-8-3;1-5(2)6-3-7-4-6;1-4(2)5-6-7-8-9(5)3;2*1-4(2)5-3-6-8-7-5;1-4(2)5(7)8-3-6;1-4(2)5-7-6-3-8-5;/h4-7H,1-3H3;4-6H,1-3H3;3*3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3;4,7-8H,1-3H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);4-5,8H,7H2,1-3H3;5-6H,3-4H2,1-2H3;4H,1-3H3;4H,3H2,1-2H3;3-4H,1-2H3,(H,6,7,8);3-4,6-7H,1-2H3;3-4H,1-2H3;1H3/b;;;;;;;;;;7-5+,8-6-;;;;6-4-;;;;;6-3+,7-5-;;
InChIKeyBXAAAXJWZWFAOM-WDSVMTHZSA-N
MW2568.80 g/mol
LogP33.81
Rot. Bonds23

About azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole

azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole (PubChem CID 159014140) has the molecular formula C138H235N39O4S2 and a molecular weight of 2568.80 g/mol. Its IUPAC name is azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole.

Molecular Properties

Compound Nameazane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole
PubChem CID159014140
Molecular FormulaC138H235N39O4S2
Molecular Weight2568.80 g/mol
Exact Mass2566.88
IUPAC Nameazane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole
SMILESCC(C)C1=NN=NC1.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1nncs1.CC(C)c1nnnn1C.CN/C=C(\N)C(C)C.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1nnc(C(C)C)s1.N.[H]/N=C(\O/C(C)=N/[H])C(C)C.[H]/N=C(\O/C=N/[H])C(C)C
InChIInChI=1S/C9H13N.C8H12N2.3C8H11N.C8H16O.2C7H12N2.2C7H10N2.C6H12N2O.C6H10N2S.2C6H10N2.C6H14N2.C6H12O.C5H10N4.2C5H9N3.C5H10N2O.C5H8N2S.H3N/c1-7(2)9-5-4-8(3)10-6-9;1-6(2)8-4-9-7(3)10-5-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-4(2)6(8)9-5(3)7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6(7)4-8-3;1-5(2)6-3-7-4-6;1-4(2)5-6-7-8-9(5)3;2*1-4(2)5-3-6-8-7-5;1-4(2)5(7)8-3-6;1-4(2)5-7-6-3-8-5;/h4-7H,1-3H3;4-6H,1-3H3;3*3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3;4,7-8H,1-3H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);4-5,8H,7H2,1-3H3;5-6H,3-4H2,1-2H3;4H,1-3H3;4H,3H2,1-2H3;3-4H,1-2H3,(H,6,7,8);3-4,6-7H,1-2H3;3-4H,1-2H3;1H3/b;;;;;;;;;;7-5+,8-6-;;;;6-4-;;;;;6-3+,7-5-;;
InChIKeyBXAAAXJWZWFAOM-WDSVMTHZSA-N
XLogP33.81
TPSA601.08 Ų
H-Bond Donors10
H-Bond Acceptors42
Rotatable Bonds23
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002568.80
LogP ≤ 533.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole with MolForge

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Related Compounds

6-(difluoromethyl)-3-[6-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;3-[6-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine;3-[6-[2-methyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine;3-[6-[3-methyl-2-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine;3-[6-[1-(oxan-4-yl)pyrazol-4-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 158034812
2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(5-methylthiophen-2-yl)-1H-imidazo[4,5-c]pyridine
CID 145033533
3-[7-(cyclopenten-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridine;3-[7-(2,3-dihydrothiophen-4-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridine;ethane;2-[5-(5-methyl-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 145037409
3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 145037922
2-[5-[5-(cyclohexylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine;ethane;2-[5-(1-methylpyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-(5-methylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
CID 145037982
5-[3-[4-(2,3-dihydrothiophen-4-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-N,N-dimethylpyridin-3-amine;ethane;2-[5-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-3-yl-1H-imidazo[4,5-c]pyridine
CID 145244800
ethane;N-(4-methylpent-1-en-2-yl)-5-[3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-thiophen-2-yl-1H-imidazo[4,5-c]pyridine
CID 145244974
N-(1-phenylethenyl)-5-[3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 145245160
5-(2,3-dimethylimidazol-4-yl)-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridine;ethane;2-[(4E,5E)-5-ethylidene-4-[2-[5-(piperidin-4-ylmethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridine
CID 145246065
N-(1-phenylethenyl)-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine;3-[7-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
CID 145249141
N,N-dimethyl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine;ethane;2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine
CID 145664824
1-fluoro-3-propan-2-ylbenzene;4-methyl-1-propan-2-ylimidazole;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpyrazole;4-methyl-1-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyridine;4-propan-2-ylmorpholine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 157056603

Frequently Asked Questions

What is the IUPAC name of azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole?
The IUPAC name of azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole (CID 159014140) is azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole.
What is the SMILES notation for azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole?
The canonical SMILES for azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole is CC(C)C1=NN=NC1.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cn(C)cn1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1ncccn1.CC(C)c1nncs1.CC(C)c1nnnn1C.CN/C=C(\N)C(C)C.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1nnc(C(C)C)s1.N.[H]/N=C(\O/C(C)=N/[H])C(C)C.[H]/N=C(\O/C=N/[H])C(C)C.
What is the InChIKey of azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole?
The InChIKey is BXAAAXJWZWFAOM-WDSVMTHZSA-N. The full InChI is InChI=1S/C9H13N.C8H12N2.3C8H11N.C8H16O.2C7H12N2.2C7H10N2.C6H12N2O.C6H10N2S.2C6H10N2.C6H14N2.C6H12O.C5H10N4.2C5H9N3.C5H10N2O.C5H8N2S.H3N/c1-7(2)9-5-4-8(3)10-6-9;1-6(2)8-4-9-7(3)10-5-8;2*1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-4(2)6(8)9-5(3)7;1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6(7)4-8-3;1-5(2)6-3-7-4-6;1-4(2)5-6-7-8-9(5)3;2*1-4(2)5-3-6-8-7-5;1-4(2)5(7)8-3-6;1-4(2)5-7-6-3-8-5;/h4-7H,1-3H3;4-6H,1-3H3;3*3-7H,1-2H3;7-8H,3-6H2,1-2H3;2*4-6H,1-3H3;2*3-6H,1-2H3;4,7-8H,1-3H3;4H,1-3H3;2*3-5H,1-2H3,(H,7,8);4-5,8H,7H2,1-3H3;5-6H,3-4H2,1-2H3;4H,1-3H3;4H,3H2,1-2H3;3-4H,1-2H3,(H,6,7,8);3-4,6-7H,1-2H3;3-4H,1-2H3;1H3/b;;;;;;;;;;7-5+,8-6-;;;;6-4-;;;;;6-3+,7-5-;;.
What are the key properties of azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole?
azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole has a molecular weight of 2568.80 g/mol, XLogP of 33.81, 23 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(Z)-1-N,3-dimethylbut-1-ene-1,2-diamine;ethanimidoyl 2-methylpropanimidate;methanimidoyl 2-methylpropanimidate;1-methyl-4-propan-2-ylimidazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;5-propan-2-yl-1H-imidazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole is sourced from PubChem (CID 159014140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).